data_La2ReNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   7.22
_cell_angle_alpha   101.01
_cell_angle_beta   101.01
_cell_angle_gamma   47.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReNi
_chemical_formula_sum   'La2 Re1 Ni1'
_cell_volume   96.1
_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  0.51  0.0  0.76  1.0
  La  La1  1  0.87  0.0  0.3  1.0
  Re  Re3  1  0.19  0.0  0.53  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_La2ReNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.3
_cell_length_c   7.22
_cell_angle_alpha   101.01
_cell_angle_beta   90.0
_cell_angle_gamma   113.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2ReNi
_chemical_formula_sum   'La2 Re1 Ni1'
_cell_volume   96.1
_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  0.13  0.7  1.0
  La  La1  1  0.0  0.49  0.24  1.0
  Re  Re2  1  0.0  0.81  0.47  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

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