data_[Li2Pr2Br6]
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 [P2_1/m]
_cell_length_a [7.6093]
_cell_length_b [3.7322]
_cell_length_c [10.5590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiPrBr3]
_chemical_formula_sum '[Li2 Pr2 Br6]'
_cell_volume [284.9310]
_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  0.1924  0.2500  0.6525  1.0
  Pr  Pr1  2  0.2140  0.7500  0.1852  1.0
  Br  Br2  2  0.0764  0.2500  0.3713  1.0
  Br  Br3  2  0.2031  0.2500  0.9508  1.0
  Br  Br4  2  0.4536  0.7500  0.6902  1.0
]