data_[K2Er2Ge2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4773]
_cell_length_b [6.7172]
_cell_length_c [8.7695]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KErGeS4]
_chemical_formula_sum '[K2 Er2 Ge2 S8]'
_cell_volume [364.2724]
_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  2  0.2603  0.2500  0.0612  1.0
  Er  Er1  2  0.2218  0.2500  0.5504  1.0
  Ge  Ge2  2  0.2330  0.7500  0.3321  1.0
  S  S3  4  0.0019  0.5036  0.7049  1.0
  S  S4  2  0.4367  0.7500  0.1718  1.0
  S  S5  2  0.4454  0.7500  0.5810  1.0
]