data_[K4Ba4In4As8]
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
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3273]
_cell_length_b [4.6403]
_cell_length_c [11.3075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.5594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KBaInAs2]
_chemical_formula_sum '[K4 Ba4 In4 As8]'
_cell_volume [720.7166]
_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  0.1297  0.5000  0.4094  1.0
  Ba  Ba1  4  0.2371  0.0000  0.8198  1.0
  In  In2  4  0.0495  0.0000  0.9072  1.0
  As  As3  4  0.1020  0.5000  0.8251  1.0
  As  As4  4  0.1425  0.0000  0.2128  1.0
]