data_[K2Bi2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.3467]
_cell_length_b [4.4533]
_cell_length_c [12.0781]
_cell_angle_alpha [95.0328]
_cell_angle_beta [99.3495]
_cell_angle_gamma [108.1923]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KBiAs]
_chemical_formula_sum '[K2 Bi2 As2]'
_cell_volume [216.7595]
_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  0.3744  0.4173  0.2918  1
  Bi  Bi1  2  0.1547  0.2847  0.9399  1
  As  As2  2  0.1782  0.8295  0.5029  1
]