data_[Mg4U4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  U  1.3800  1.7500  0.9913
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2639]
_cell_length_b [6.3205]
_cell_length_c [6.1534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [MgUBi]
_chemical_formula_sum '[Mg4 U4 Bi4]'
_cell_volume [313.6612]
_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
[
  Mg  Mg0  4  0.4898  0.1657  0.7952  1
  U  U1  4  0.1152  0.0836  0.9425  1
  Bi  Bi2  4  0.2091  0.5783  0.9630  1
]