data_K2InAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.37
_cell_length_b   5.16
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InAs
_chemical_formula_sum   'K2 In1 As1'
_cell_volume   125.37
_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  0.69  0.58  0.63  1.0
  K  K3  1  0.62  0.58  0.59  1.0
  In  In1  1  0.97  0.0  0.61  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_K2InAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   5.16
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2InAs
_chemical_formula_sum   'K2 In1 As1'
_cell_volume   125.37
_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  K0  1  0.62  0.58  0.59  1.0
  K  K1  1  0.69  0.58  0.63  1.0
  In  In2  1  0.97  0.0  0.61  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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