data_Na2InMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InMo
_chemical_formula_sum   'Na2 In1 Mo1'
_cell_volume   87.53
_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
  Na  Na2  1  0.7  0.0  0.67  1.0
  Na  Na3  1  0.7  0.0  0.47  1.0
  In  In0  1  0.0  0.0  0.57  1.0
  Mo  Mo1  1  0.0  0.0  0.0  1.0

data_Na2InMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   11.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InMo
_chemical_formula_sum   'Na2 In1 Mo1'
_cell_volume   87.53
_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
  Na  Na0  1  0.7  0.0  0.47  1.0
  Na  Na1  1  0.7  0.0  0.67  1.0
  In  In2  1  0.0  0.0  0.57  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Na Na In Mo
Na Na In Mo 0 2 + o o 1 2 + o o 3 3 + + o 3 3 o + o 3 3 + o o 