data_[Li4Pr10Bi10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.3121]
_cell_length_b [4.5566]
_cell_length_c [12.7409]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2(PrBi)5]
_chemical_formula_sum '[Li4 Pr10 Bi10]'
_cell_volume [796.5699]
_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  0.0753  0.0000  0.7824  1
  Pr  Pr1  4  0.1552  0.5000  0.0193  1
  Pr  Pr2  4  0.2121  0.5000  0.3355  1
  Pr  Pr3  2  0.0000  0.5000  0.5000  1
  Bi  Bi4  4  0.1051  0.0000  0.4144  1
  Bi  Bi5  4  0.1935  0.5000  0.7824  1
  Bi  Bi6  2  0.0000  0.0000  0.0000  1
]