data_[Li14Pm6Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pm  1.1300  1.8500  1.1100
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0789]
_cell_length_b [4.6625]
_cell_length_c [10.3503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.8779]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Pm3Bi4]
_chemical_formula_sum '[Li14 Pm6 Bi8]'
_cell_volume [667.8242]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.0053  0.5000  0.8193  1
  Li  Li1  4  0.1506  0.0000  0.9273  1
  Li  Li2  4  0.1678  0.5000  0.5122  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Pm  Pm4  4  0.2066  0.5000  0.2206  1
  Pm  Pm5  2  0.0000  0.0000  0.5000  1
  Bi  Bi6  4  0.1203  0.0000  0.3381  1
  Bi  Bi7  4  0.1507  0.5000  0.7690  1
]