data_LaInMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   4.99
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaInMo2
_chemical_formula_sum   'La1 In1 Mo2'
_cell_volume   90.82
_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  0.55  0.0  0.79  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.56  0.5  0.83  1.0
  Mo  Mo3  1  0.54  0.5  0.76  1.0

data_LaInMo2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.26
_cell_length_b   4.99
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   91.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LaInMo2
_chemical_formula_sum   'La1 In1 Mo2'
_cell_volume   90.82
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  La0  1  0.55  0.0  0.79  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.54  0.5  0.76  1.0
  Mo  Mo3  1  0.56  0.5  0.83  1.0

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