data_[Li1Zn1Br3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.9965]
_cell_length_b [10.5149]
_cell_length_c [15.2331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [95.2684]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiZnBr3]
_chemical_formula_sum '[Li1 Zn1 Br3]'
_cell_volume [637.4293]
_cell_formula_units_Z [1]
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  1  0.6859  0.9223  0.5019  1
  Zn  Zn1  1  0.3412  0.4828  0.4975  1
  Br  Br2  1  0.2141  0.0448  0.5011  1
  Br  Br3  1  0.2984  0.6988  0.5074  1
  Br  Br4  1  0.7995  0.3515  0.4921  1
]