data_[Li2Pr2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [15.4706]
_cell_length_b [4.1917]
_cell_length_c [18.6340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [LiPrBr5]
_chemical_formula_sum '[Li2 Pr2 Br10]'
_cell_volume [1208.3821]
_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  2  0.0000  0.5000  0.5000  1
  Pr  Pr1  2  0.2500  0.0000  0.4736  1
  Br  Br2  4  0.0755  0.0000  0.5580  1
  Br  Br3  4  0.1372  0.5000  0.4025  1
  Br  Br4  2  0.2500  0.5000  0.5913  1
]