data_[K8Ge12As12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [14.2562]
_cell_length_b [16.5981]
_cell_length_c [3.8326]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [K2(GeAs)3]
_chemical_formula_sum '[K8 Ge12 As12]'
_cell_volume [906.8979]
_cell_formula_units_Z [4]
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  0.0926  0.5991  0.5000  1
  K  K1  4  0.1228  0.2203  0.0000  1
  Ge  Ge2  4  0.0798  0.9697  0.5000  1
  Ge  Ge3  4  0.1777  0.7781  0.0000  1
  Ge  Ge4  4  0.2171  0.4025  0.5000  1
  As  As5  4  0.0726  0.8187  0.5000  1
  As  As6  4  0.1107  0.4224  0.0000  1
  As  As7  4  0.1720  0.0204  0.0000  1
]