data_La2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.2
_cell_length_b   5.96
_cell_length_c   5.96
_cell_angle_alpha   41.99
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReNi
_chemical_formula_sum   'La2 Re1 Ni1'
_cell_volume   99.66
_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  0.99  1.0
  La  La1  1  0.1  0.0  0.04  1.0
  Re  Re3  1  0.1  0.0  0.41  1.0
  Ni  Ni2  1  0.0  0.0  0.62  1.0

data_La2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   4.27
_cell_length_c   5.96
_cell_angle_alpha   111.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReNi
_chemical_formula_sum   'La2 Re1 Ni1'
_cell_volume   99.66
_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  0.99  0.99  1.0
  La  La1  1  0.9  0.04  0.04  1.0
  Re  Re2  1  0.9  0.41  0.41  1.0
  Ni  Ni3  1  0.0  0.62  0.62  1.0

La La Re Ni
La La Re Ni 0 1 o o + 2 3 o o o 