data_LaReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77
_cell_length_b   7.54
_cell_length_c   2.94
_cell_angle_alpha   83.27
_cell_angle_beta   74.64
_cell_angle_gamma   22.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReMo
_chemical_formula_sum   'La1 Re1 Mo1'
_cell_volume   58.42
_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  La0  1  0.61  0.46  0.71  1.0
  Re  Re2  1  0.61  0.46  0.68  1.0
  Mo  Mo1  1  0.61  0.46  0.08  1.0

data_LaReMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.22
_cell_length_b   14.73
_cell_length_c   2.94
_cell_angle_alpha   90.0
_cell_angle_beta   123.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaReMo
_chemical_formula_sum   'La2 Re2 Mo2'
_cell_volume   116.83
_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  0.22  0.0  0.68  1.0
  Re  Re1  2  0.25  0.0  0.71  1.0
  Mo  Mo2  2  0.35  0.5  0.31  1.0

La Re Mo
La Re Mo 0 1 o o o 0 2 o o + 1 2 o o + 