data_[K2Ga2Te2Se8]
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
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.8224]
_cell_length_b [7.3183]
_cell_length_c [9.2012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9409]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGaTeSe4]
_chemical_formula_sum '[K2 Ga2 Te2 Se8]'
_cell_volume [437.0579]
_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  0.2516  0.2500  0.0564  1
  Ga  Ga1  2  0.2343  0.7500  0.3298  1
  Te  Te2  2  0.2220  0.2500  0.5300  1
  Se  Se3  4  0.0032  0.5063  0.7144  1
  Se  Se4  2  0.4745  0.7500  0.5868  1
  Se  Se5  2  0.4761  0.7500  0.1875  1
]