data_[Ti1V1Bi2Mo1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  V  1.6300  1.3500  0.7775
  Bi  2.0200  1.6000  1.0350
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3926]
_cell_length_b [5.3926]
_cell_length_c [4.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TiVBi2Mo]
_chemical_formula_sum '[Ti1 V1 Bi2 Mo1]'
_cell_volume [132.1644]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5000  1
  V  V1  1  0.5000  0.5000  0.5000  1
  Bi  Bi2  2  0.0000  0.5000  0.0000  1
  Mo  Mo3  1  0.0000  0.0000  0.0000  1
]