data_[Li4Pr8P8]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1316]
_cell_length_b [15.4477]
_cell_length_c [7.3548]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li(PrP)2]
_chemical_formula_sum '[Li4 Pr8 P8]'
_cell_volume [469.4128]
_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
[
  Li  Li0  4  0.0000  0.4023  0.0835  1.0
  Pr  Pr1  4  0.0000  0.0354  0.2343  1.0
  Pr  Pr2  4  0.0000  0.2084  0.8794  1.0
  P  P3  4  0.0000  0.1690  0.4992  1.0
  P  P4  4  0.0000  0.4342  0.4379  1.0
]