data_[Y1Tm3Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [6.2833]
_cell_length_b [6.2833]
_cell_length_c [6.2833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [221]
_chemical_formula_structural [YTm3Bi4]
_chemical_formula_sum '[Y1 Tm3 Bi4]'
_cell_volume [248.0661]
_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
[
  Y  Y0  1  0.0000  0.0000  0.0000  1
  Tm  Tm1  3  0.0000  0.5000  0.5000  1
  Bi  Bi2  3  0.0000  0.0000  0.5000  1
  Bi  Bi3  1  0.5000  0.5000  0.5000  1
]