data_La2NbRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   140.82
_cell_angle_beta   140.82
_cell_angle_gamma   56.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NbRe
_chemical_formula_sum   'La2 Nb1 Re1'
_cell_volume   90.51
_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  0.05  0.69  1.0
  La  La1  1  0.05  0.0  0.69  1.0
  Nb  Nb2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.38  1.0

data_La2NbRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   118.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2NbRe
_chemical_formula_sum   'La4 Nb2 Re2'
_cell_volume   181.01
_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  4  0.03  0.03  0.36  1.0
  Nb  Nb1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.0  0.0  0.62  1.0

La La Nb Re