data_[Ti20Bi4Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Bi  2.0200  1.6000  1.0350
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.1734]
_cell_length_b [7.7289]
_cell_length_c [9.7378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ti5BiMo]
_chemical_formula_sum '[Ti20 Bi4 Mo4]'
_cell_volume [515.9991]
_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
[
  Ti  Ti0  8  0.1186  0.3406  0.5358  1
  Ti  Ti1  8  0.1954  0.2056  0.8527  1
  Ti  Ti2  4  0.0000  0.1065  0.2500  1
  Bi  Bi3  4  0.0000  0.4729  0.2500  1
  Mo  Mo4  4  0.0000  0.0000  0.0000  1
]