data_[K4Zn4Ga4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2589]
_cell_length_b [4.1514]
_cell_length_c [9.7832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.7312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KZnGaAs2]
_chemical_formula_sum '[K4 Zn4 Ga4 As8]'
_cell_volume [532.2637]
_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  0.1573  0.5000  0.6674  1.0
  Zn  Zn1  4  0.1741  0.5000  0.0779  1.0
  Ga  Ga2  4  0.0492  0.0000  0.1875  1.0
  As  As3  4  0.1182  0.5000  0.3170  1.0
  As  As4  4  0.1291  0.0000  0.9385  1.0
]