data_[Li2Ge2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1517]
_cell_length_b [4.1855]
_cell_length_c [11.7340]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiGeBr3]
_chemical_formula_sum '[Li2 Ge2 Br6]'
_cell_volume [337.9466]
_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  0.0396  0.2500  0.8081  1.0
  Ge  Ge1  2  0.4452  0.2500  0.3096  1.0
  Br  Br2  2  0.1942  0.2500  0.1135  1.0
  Br  Br3  2  0.2499  0.7500  0.7898  1.0
  Br  Br4  2  0.2564  0.7500  0.3917  1.0
]