data_[Bi4Te4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Bi  2.0200  1.6000  1.0350
  Te  2.1000  1.4000  1.2933
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8451]
_cell_length_b [6.7102]
_cell_length_c [6.8835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5880]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [BiTeRu]
_chemical_formula_sum '[Bi4 Te4 Ru4]'
_cell_volume [287.5011]
_cell_formula_units_Z [4]
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
[
  Bi  Bi0  4  0.1402  0.1440  0.8802  1
  Te  Te1  4  0.3490  0.6369  0.1766  1
  Ru  Ru2  4  0.2868  0.5067  0.7975  1
]