data_LaPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   124.84
_cell_angle_beta   124.84
_cell_angle_gamma   81.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPb2W
_chemical_formula_sum   'La1 Pb2 W1'
_cell_volume   99.98
_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  0.0  1.0
  Pb  Pb1  1  0.48  0.0  0.03  1.0
  Pb  Pb2  1  0.0  0.48  0.03  1.0
  W  W3  1  0.0  0.0  0.05  1.0

data_LaPb2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   5.36
_cell_angle_alpha   90.0
_cell_angle_beta   130.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPb2W
_chemical_formula_sum   'La2 Pb4 W2'
_cell_volume   199.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Pb  Pb1  4  0.26  0.26  0.54  1.0
  W  W2  2  0.0  0.0  0.05  1.0

La Pb Pb W
La Pb Pb W 0 3 o o o 0 1 o o o 0 1 - o o 0 2 o - o 0 2 o o o 1 3 o o o 1 3 + o o 2 3 o + o 2 3 o o o 