data_[Na2Mn4Ge2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [8.6454]
_cell_length_b [7.3868]
_cell_length_c [6.8611]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [NaMn2GeSe4]
_chemical_formula_sum '[Na2 Mn4 Ge2 Se8]'
_cell_volume [438.1631]
_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
[
  Na  Na0  2  0.0000  0.8475  0.4930  1.0
  Mn  Mn1  4  0.2457  0.6623  0.9980  1.0
  Ge  Ge2  2  0.0000  0.1798  0.9984  1.0
  Se  Se3  4  0.2316  0.3459  0.8657  1.0
  Se  Se4  2  0.0000  0.2193  0.3658  1.0
  Se  Se5  2  0.0000  0.8354  0.9153  1.0
]