data_[K4Ga8Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.8225]
_cell_length_b [4.5561]
_cell_length_c [7.6443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KGa2Se3]
_chemical_formula_sum '[K4 Ga8 Se12]'
_cell_volume [764.9269]
_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  0.1442  0.5000  0.4476  1
  Ga  Ga1  4  0.0561  0.0000  0.9138  1
  Ga  Ga2  4  0.1999  0.5000  0.0216  1
  Se  Se3  4  0.0538  0.0000  0.2306  1
  Se  Se4  4  0.0947  0.5000  0.8209  1
  Se  Se5  4  0.2252  0.0000  0.1792  1
]