data_La2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2PtW
_chemical_formula_sum   'La2 Pt1 W1'
_cell_volume   96.71
_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  0.89  0.91  0.67  1.0
  La  La1  1  0.89  0.09  0.67  1.0
  Pt  Pt2  1  0.78  0.0  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_La2PtW
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   La2PtW
_chemical_formula_sum   'La2 Pt1 W1'
_cell_volume   96.71
_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  2  0.67  0.09  0.89  1.0
  Pt  Pt1  1  0.0  0.0  0.78  1.0
  W  W2  1  0.0  0.0  0.0  1.0

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