data_La2CrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.35
_cell_length_b   6.35
_cell_length_c   6.35
_cell_angle_alpha   148.11
_cell_angle_beta   133.8
_cell_angle_gamma   57.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrRe
_chemical_formula_sum   'La2 Cr1 Re1'
_cell_volume   97.13
_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  0.75  0.0  0.18  1.0
  La  La2  1  0.0  0.0  0.17  1.0
  Cr  Cr0  1  0.0  0.0  0.43  1.0
  Re  Re3  1  0.75  0.0  0.95  1.0

data_La2CrRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.99
_cell_length_c   6.35
_cell_angle_alpha   113.1
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2CrRe
_chemical_formula_sum   'La2 Cr1 Re1'
_cell_volume   97.13
_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  0.17  0.17  1.0
  La  La1  1  0.0  0.18  0.43  1.0
  Cr  Cr2  1  0.0  0.43  0.43  1.0
  Re  Re3  1  0.0  0.95  0.21  1.0

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