data_[K2Ba4Ga4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  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 [17.0111]
_cell_length_b [4.7386]
_cell_length_c [7.2138]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4829]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KBa2(GaAs2)2]
_chemical_formula_sum '[K2 Ba4 Ga4 As8]'
_cell_volume [529.2151]
_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  0.0000  0.0000  0.0000  1.0
  Ba  Ba1  4  0.1351  0.0000  0.5729  1.0
  Ga  Ga2  4  0.1733  0.5000  0.9676  1.0
  As  As3  4  0.0123  0.5000  0.6856  1.0
  As  As4  4  0.2059  0.0000  0.1611  1.0
]