data_[Er8Re8Os8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Re  1.9000  1.3500  0.7125
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.6309]
_cell_length_b [5.3372]
_cell_length_c [9.4700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ErReOs]
_chemical_formula_sum '[Er8 Re8 Os8]'
_cell_volume [436.2288]
_cell_formula_units_Z [8]
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
[
  Er  Er0  4  0.1825  0.0000  0.6665  1
  Er  Er1  4  0.3130  0.0000  0.3351  1
  Re  Re2  4  0.2472  0.0000  0.0038  1
  Re  Re3  4  0.5000  0.2443  0.5848  1
  Os  Os4  4  0.0000  0.2409  0.4118  1
  Os  Os5  2  0.0000  0.0000  0.1713  1
  Os  Os6  2  0.5000  0.0000  0.8245  1
]