data_[La4Pm12Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.6950]
_cell_length_b [9.6950]
_cell_length_c [9.6950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [La(PmBi)3]
_chemical_formula_sum '[La4 Pm12 Bi12]'
_cell_volume [911.2557]
_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
[
  La  La0  4  0.0707  0.5707  0.9293  1
  Pm  Pm1  4  0.0742  0.4258  0.5742  1
  Pm  Pm2  4  0.1794  0.1794  0.1794  1
  Pm  Pm3  4  0.1800  0.8200  0.3200  1
  Bi  Bi4  12  0.0007  0.7459  0.6214  1
]