data_[Y6Co6Bi6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Co  1.8800  1.3500  0.7683
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [6.4778]
_cell_length_b [6.4778]
_cell_length_c [11.6466]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [180]
_chemical_formula_structural [YCoBi]
_chemical_formula_sum '[Y6 Co6 Bi6]'
_cell_volume [423.2346]
_cell_formula_units_Z [6]
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
[
  Y  Y0  6  0.0000  0.5000  0.4446  1
  Co  Co1  6  0.1973  0.5986  0.6667  1
  Bi  Bi2  3  0.0000  0.0000  0.0000  1
  Bi  Bi3  3  0.0000  0.5000  0.1667  1
]