data_KInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   5.39
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInMo2
_chemical_formula_sum   'K1 In1 Mo2'
_cell_volume   82.38
_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  K1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.4  0.7  0.0  1.0
  Mo  Mo2  1  0.0  0.7  0.72  1.0
  Mo  Mo3  1  0.4  0.0  0.72  1.0

data_KInMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.39
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInMo2
_chemical_formula_sum   'K1 In1 Mo2'
_cell_volume   82.38
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.4  0.7  0.0  1.0
  Mo  Mo2  1  0.0  0.7  0.72  1.0
  Mo  Mo3  1  0.4  0.0  0.72  1.0

K In Mo Mo
K In Mo Mo 0 1 - - o 0 1 o - o 0 3 - o - 0 3 o o - 0 2 o - - 1 2 o o - 1 2 + o - 1 3 o + - 2 3 - + o 2 3 o + o 