data_[K12Si4As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.2983]
_cell_length_b [14.4793]
_cell_length_c [6.6576]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [K3SiAs2]
_chemical_formula_sum '[K12 Si4 As8]'
_cell_volume [799.9385]
_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  8  0.1762  0.1905  0.5000  1
  K  K1  4  0.0000  0.5000  0.2500  1
  Si  Si2  4  0.0000  0.0000  0.2500  1
  As  As3  8  0.1706  0.0816  0.0000  1
]