data_[K1Li2Mo1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Mo  2.1600  1.4500  0.7750
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4904]
_cell_length_b [7.4548]
_cell_length_c [9.0951]
_cell_angle_alpha [69.4944]
_cell_angle_beta [82.1851]
_cell_angle_gamma [84.3281]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KLi2MoBr8]
_chemical_formula_sum '[K1 Li2 Mo1 Br8]'
_cell_volume [407.7288]
_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
[
  K  K0  1  0.0000  0.5000  0.5000  1.0
  Li  Li1  2  0.4723  0.0175  0.3317  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  2  0.0837  0.9838  0.2715  1.0
  Br  Br4  2  0.1606  0.3143  0.8796  1.0
  Br  Br5  2  0.3467  0.8296  0.9578  1.0
  Br  Br6  2  0.4518  0.2760  0.4447  1.0
]