data_La2ScRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.07
_cell_length_b   10.07
_cell_length_c   10.07
_cell_angle_alpha   20.11
_cell_angle_beta   20.11
_cell_angle_gamma   20.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ScRe
_chemical_formula_sum   'La2 Sc1 Re1'
_cell_volume   105.73
_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  0.0  0.09  1.0
  La  La1  1  0.0  0.0  0.51  1.0
  Sc  Sc3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.8  1.0

data_La2ScRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.09
_cell_length_b   3.52
_cell_length_c   10.07
_cell_angle_alpha   90.0
_cell_angle_beta   101.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2ScRe
_chemical_formula_sum   'La4 Sc2 Re2'
_cell_volume   211.45
_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  0.0  0.0  0.49  1.0
  La  La1  2  0.0  0.0  0.91  1.0
  Sc  Sc2  2  0.0  0.0  0.0  1.0
  Re  Re3  2  0.0  0.0  0.2  1.0

La La Sc Re
La La Sc Re 0 2 o o o 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o o 2 3 o o - 