data_LaNbRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   148.13
_cell_angle_beta   127.8
_cell_angle_gamma   62.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbRe2
_chemical_formula_sum   'La1 Nb1 Re2'
_cell_volume   77.93
_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  0.57  0.0  0.83  1.0
  Nb  Nb1  1  0.0  0.0  0.54  1.0
  Re  Re2  1  0.57  0.0  0.14  1.0
  Re  Re3  1  0.0  0.0  0.21  1.0

data_LaNbRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.15
_cell_length_b   5.05
_cell_length_c   5.74
_cell_angle_alpha   116.1
_cell_angle_beta   105.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNbRe2
_chemical_formula_sum   'La1 Nb1 Re2'
_cell_volume   77.93
_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  0.74  0.17  0.74  1.0
  Nb  Nb1  1  0.46  0.46  0.46  1.0
  Re  Re2  1  0.44  0.86  0.44  1.0
  Re  Re3  1  0.79  0.79  0.79  1.0

La Nb Re Re