data_[Li6Mn3Ge3Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8826]
_cell_length_b [6.8826]
_cell_length_c [18.9634]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2MnGeBr6]
_chemical_formula_sum '[Li6 Mn3 Ge3 Br18]'
_cell_volume [777.9530]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0093  1.0
  Li  Li1  3  0.0000  0.0000  0.5115  1.0
  Mn  Mn2  3  0.0000  0.0000  0.3224  1.0
  Ge  Ge3  3  0.0000  0.0000  0.8216  1.0
  Br  Br4  9  0.0064  0.3262  0.9177  1.0
  Br  Br5  9  0.0280  0.6728  0.0804  1.0
]