data_K2InAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   120.66
_cell_angle_beta   120.66
_cell_angle_gamma   88.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InAs
_chemical_formula_sum   'K2 In1 As1'
_cell_volume   130.11
_cell_formula_units_Z   1
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  K2  1  0.0  0.83  0.04  1.0
  K  K3  1  0.83  0.0  0.04  1.0
  In  In1  1  0.0  0.0  0.08  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_K2InAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.99
_cell_length_b   7.99
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   134.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2InAs
_chemical_formula_sum   'K4 In2 As2'
_cell_volume   260.22
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.37  0.41  0.79  1.0
  In  In1  2  0.42  0.5  0.92  1.0
  As  As2  2  0.0  0.0  0.0  1.0

K K In As
K K In As 0 2 o + o 1 2 + o o 2 3 o o o 