data_[Li4Mn2Ge2Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [8.0732]
_cell_length_b [7.2307]
_cell_length_c [6.7125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Li2MnGeSe4]
_chemical_formula_sum '[Li4 Mn2 Ge2 Se8]'
_cell_volume [391.8439]
_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  4  0.2460  0.6742  0.0024  1.0
  Mn  Mn1  2  0.0000  0.8477  0.4946  1.0
  Ge  Ge2  2  0.0000  0.1667  0.9996  1.0
  Se  Se3  4  0.2412  0.3314  0.8854  1.0
  Se  Se4  2  0.0000  0.1713  0.3570  1.0
  Se  Se5  2  0.0000  0.8579  0.8730  1.0
]