data_La2InMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2InMo
_chemical_formula_sum   'La2 In1 Mo1'
_cell_volume   111.02
_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
  La  La1  1  0.87  0.87  0.23  1.0
  La  La2  1  0.87  0.87  0.74  1.0
  In  In0  1  0.0  0.0  0.98  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

data_La2InMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   7.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2InMo
_chemical_formula_sum   'La4 In2 Mo2'
_cell_volume   222.04
_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
  La  La0  2  0.37  0.5  0.23  1.0
  La  La1  2  0.37  0.5  0.74  1.0
  In  In2  2  0.0  0.0  0.98  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

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