data_[K12In2P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [9.0096]
_cell_length_b [9.0137]
_cell_length_c [10.0053]
_cell_angle_alpha [81.8249]
_cell_angle_beta [72.8778]
_cell_angle_gamma [60.4941]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K6InP3]
_chemical_formula_sum '[K12 In2 P6]'
_cell_volume [675.7970]
_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  1  0.0212  0.8037  0.6085  1.0
  K  K1  1  0.1123  0.4970  0.1554  1.0
  K  K2  1  0.2416  0.1262  0.9934  1.0
  K  K3  1  0.2481  0.7896  0.8906  1.0
  K  K4  1  0.2556  0.1424  0.6066  1.0
  K  K5  1  0.3986  0.4378  0.4077  1.0
  K  K6  1  0.5748  0.3714  0.0558  1.0
  K  K7  1  0.6262  0.5513  0.6013  1.0
  K  K8  1  0.7311  0.8753  0.3837  1.0
  K  K9  1  0.7500  0.9082  0.0117  1.0
  K  K10  1  0.8707  0.5136  0.8622  1.0
  K  K11  1  0.9694  0.1823  0.3718  1.0
  In  In12  1  0.4189  0.8241  0.2502  1.0
  In  In13  1  0.5854  0.1732  0.7416  1.0
  P  P14  1  0.1531  0.7993  0.2403  1.0
  P  P15  1  0.2883  0.4475  0.7672  1.0
  P  P16  1  0.3884  0.1250  0.2586  1.0
  P  P17  1  0.5967  0.8829  0.7393  1.0
  P  P18  1  0.7150  0.5563  0.2375  1.0
  P  P19  1  0.8641  0.1761  0.7553  1.0
]