data_[K4In4Ga4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmme]
_cell_length_a [6.5013]
_cell_length_b [13.8996]
_cell_length_c [6.6927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [67]
_chemical_formula_structural [KInGaAs2]
_chemical_formula_sum '[K4 In4 Ga4 As8]'
_cell_volume [604.7883]
_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  0.0000  0.2500  0.2334  1
  In  In1  4  0.2500  0.0000  0.5000  1
  Ga  Ga2  4  0.0000  0.0000  0.0000  1
  As  As3  8  0.0000  0.1155  0.7375  1
]