data_[K4Ga4Se4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9857]
_cell_length_b [5.5203]
_cell_length_c [10.4982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGaSeO]
_chemical_formula_sum '[K4 Ga4 Se4 O4]'
_cell_volume [399.9581]
_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  2  0.1511  0.2500  0.5847  1
  K  K1  2  0.3349  0.7500  0.2470  1
  Ga  Ga2  2  0.0357  0.7500  0.9536  1
  Ga  Ga3  2  0.3542  0.2500  0.9702  1
  Se  Se4  2  0.0419  0.7500  0.7149  1
  Se  Se5  2  0.3561  0.7500  0.6416  1
  O  O6  4  0.1817  0.0149  0.0411  1
]