data_La3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ni5
_chemical_formula_sum   'La3 Ni5'
_cell_volume   155.6
_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  0.4  0.0  0.0  1.0
  La  La1  1  0.4  0.25  0.52  1.0
  La  La2  1  0.4  0.75  0.52  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.7  0.73  0.0  1.0
  Ni  Ni5  1  0.7  0.27  0.0  1.0
  Ni  Ni6  1  0.69  0.0  0.52  1.0
  Ni  Ni7  1  0.12  0.0  0.52  1.0

data_La3Ni5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.04
_cell_length_b   5.67
_cell_length_c   5.67
_cell_angle_alpha   106.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3Ni5
_chemical_formula_sum   'La3 Ni5'
_cell_volume   155.6
_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  0.4  0.0  1.0
  La  La1  1  0.52  0.4  0.25  1.0
  La  La2  1  0.52  0.4  0.75  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.0  0.7  0.73  1.0
  Ni  Ni5  1  0.0  0.7  0.27  1.0
  Ni  Ni6  1  0.52  0.12  0.0  1.0
  Ni  Ni7  1  0.52  0.69  0.0  1.0

La La La Ni Ni Ni Ni Ni