# CIF file
data_findsym-output
_audit_creation_method FINDSYM

_chemical_name_mineral 'Er3Ru2'
_chemical_formula_sum 'Er3 Ru2'

loop_
_publ_author_name
 'A. Palenzona'
_journal_name_full_name
;
 Journal of the Less-Common Metals
;
_journal_volume 159
_journal_year 1990
_journal_page_first L21
_journal_page_last L23
_publ_Section_title
;
 The phase diagram of the Er-Ru system
;

# Found in Pearson's Crystal Data - Crystal Structure Database for Inorganic Compounds, 2013

_aflow_title 'Er$_{3}$Ru$_{2}$ Structure'
_aflow_proto 'A3B2_hP10_176_h_bc'
_aflow_params 'a,c/a,x_{3},y_{3}'
_aflow_params_values '7.8700439404,0.50025412961,0.3847,0.0915'
_aflow_Strukturbericht 'None'
_aflow_Pearson 'hP10'

_cell_length_a    7.8700439404
_cell_length_b    7.8700439404
_cell_length_c    3.9370219814
_cell_angle_alpha 90.0000000000
_cell_angle_beta  90.0000000000
_cell_angle_gamma 120.0000000000
 
_symmetry_space_group_name_H-M "P 63/m"
_symmetry_Int_Tables_number 176
 
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 x-y,x,z+1/2
3 -y,x-y,z
4 -x,-y,z+1/2
5 -x+y,-x,z
6 y,-x+y,z+1/2
7 -x,-y,-z
8 -x+y,-x,-z+1/2
9 y,-x+y,-z
10 x,y,-z+1/2
11 x-y,x,-z
12 -y,x-y,-z+1/2
 
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ru1 Ru   2 b 0.00000 0.00000 0.00000 1.00000
Ru2 Ru   2 c 0.33333 0.66667 0.25000 1.00000
Er1 Er   6 h 0.38470 0.09150 0.25000 1.00000
