data_[K4Mg2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8430]
_cell_length_b [8.7245]
_cell_length_c [6.7792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [K2MgGeS4]
_chemical_formula_sum '[K4 Mg2 Ge2 S8]'
_cell_volume [463.8704]
_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
[
  K  K0  4  0.2390  0.3394  0.0288  1
  Mg  Mg1  2  0.0000  0.1276  0.5064  1
  Ge  Ge2  2  0.0000  0.8499  0.9951  1
  S  S3  4  0.2369  0.7054  0.0613  1
  S  S4  2  0.0000  0.0739  0.1474  1
  S  S5  2  0.0000  0.8832  0.6709  1
]