data_La2YNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   6.51
_cell_angle_alpha   147.08
_cell_angle_beta   128.33
_cell_angle_gamma   62.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YNi
_chemical_formula_sum   'La2 Y1 Ni1'
_cell_volume   116.45
_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  0.01  1.0
  La  La1  1  0.0  0.84  0.16  1.0
  Y  Y3  1  0.84  0.0  0.43  1.0
  Ni  Ni2  1  0.0  0.0  0.53  1.0

data_La2YNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   5.67
_cell_length_c   6.51
_cell_angle_alpha   115.84
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2YNi
_chemical_formula_sum   'La2 Y1 Ni1'
_cell_volume   116.45
_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  0.01  0.01  1.0
  La  La1  1  0.16  0.32  0.32  1.0
  Y  Y2  1  0.0  0.43  0.58  1.0
  Ni  Ni3  1  0.0  0.53  0.53  1.0

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