data_LaReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   2.86
_cell_angle_alpha   91.22
_cell_angle_beta   91.22
_cell_angle_gamma   106.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReNi2
_chemical_formula_sum   'La1 Re1 Ni2'
_cell_volume   63.63
_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  0.0  1.0
  Re  Re3  1  0.89  0.0  0.0  1.0
  Ni  Ni1  1  0.39  0.07  0.43  1.0
  Ni  Ni2  1  0.39  0.93  0.43  1.0

data_LaReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   106.41
_cell_angle_beta   91.22
_cell_angle_gamma   91.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaReNi2
_chemical_formula_sum   'La1 Re1 Ni2'
_cell_volume   63.63
_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  0.0  1.0
  Re  Re1  1  0.0  0.89  0.0  1.0
  Ni  Ni2  1  0.43  0.39  0.07  1.0
  Ni  Ni3  1  0.43  0.39  0.93  1.0

La Re Ni Ni