data_LaRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   5.56
_cell_angle_alpha   105.24
_cell_angle_beta   105.24
_cell_angle_gamma   35.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Mo
_chemical_formula_sum   'La1 Re2 Mo1'
_cell_volume   81.6
_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  0.02  0.0  0.66  1.0
  Re  Re2  1  0.01  0.0  0.07  1.0
  Re  Re3  1  0.76  0.0  0.82  1.0
  Mo  Mo1  1  0.49  0.0  0.46  1.0

data_LaRe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.11
_cell_length_c   5.56
_cell_angle_alpha   105.24
_cell_angle_beta   90.0
_cell_angle_gamma   107.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2Mo
_chemical_formula_sum   'La1 Re2 Mo1'
_cell_volume   81.6
_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  0.0  0.98  0.34  1.0
  Re  Re1  1  0.0  0.24  0.18  1.0
  Re  Re2  1  0.0  0.99  0.93  1.0
  Mo  Mo3  1  0.0  0.51  0.54  1.0

La Re Re Mo