data_[Li2P4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1487]
_cell_length_b [11.6801]
_cell_length_c [7.8645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9251]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(PBr4)2]
_chemical_formula_sum '[Li2 P4 Br16]'
_cell_volume [886.9920]
_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  0.0000  0.0000  1
  P  P1  4  0.2251  0.0000  0.6331  1
  Br  Br2  8  0.1703  0.1526  0.7776  1
  Br  Br3  4  0.0443  0.5000  0.2748  1
  Br  Br4  4  0.2132  0.0000  0.2513  1
]