data_La2YNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YNi
_chemical_formula_sum   'La2 Y1 Ni1'
_cell_volume   113.21
_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  0.07  1.0
  La  La1  1  0.45  0.0  0.2  1.0
  Y  Y3  1  0.45  0.0  0.95  1.0
  Ni  Ni2  1  0.0  0.0  0.49  1.0

data_La2YNi
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.52
_cell_length_b   3.52
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2YNi
_chemical_formula_sum   'La2 Y1 Ni1'
_cell_volume   113.26
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.07  1.0
  La  La1  1  0.45  0.0  0.2  1.0
  Y  Y2  1  0.45  0.0  0.95  1.0
  Ni  Ni3  1  0.0  0.0  0.49  1.0

La La Y Ni
La La Y Ni 0 2 - o - 0 2 o o - 0 1 - o o 0 1 o o o 0 3 o o o 1 2 o o - 1 3 + o o 1 3 o o o 3 3 o + o 3 3 + o o 