data_[Cr2Bi2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [2.9395]
_cell_length_b [3.8472]
_cell_length_c [10.4260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CrBiRu]
_chemical_formula_sum '[Cr2 Bi2 Ru2]'
_cell_volume [116.9299]
_cell_formula_units_Z [2]
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
[
  Cr  Cr0  2  0.0249  0.7500  0.5604  1
  Bi  Bi1  2  0.1607  0.7500  0.8383  1
  Ru  Ru2  2  0.4331  0.7500  0.3507  1
]