data_La2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   136.56
_cell_angle_beta   136.56
_cell_angle_gamma   63.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiW
_chemical_formula_sum   'La2 Ni1 W1'
_cell_volume   88.12
_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  0.89  1.0
  La  La1  1  0.0  0.12  0.44  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.12  0.0  0.44  1.0

data_La2NiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   5.74
_cell_angle_alpha   111.72
_cell_angle_beta   111.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2NiW
_chemical_formula_sum   'La2 Ni1 W1'
_cell_volume   88.12
_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  0.11  0.0  0.11  1.0
  La  La1  1  0.68  0.12  0.68  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.56  0.0  0.68  1.0

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