data_CaPbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71
_cell_length_b   7.57
_cell_length_c   3.13
_cell_angle_alpha   80.67
_cell_angle_beta   75.68
_cell_angle_gamma   23.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPbW
_chemical_formula_sum   'Ca1 Pb1 W1'
_cell_volume   70.08
_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
  Ca  Ca0  1  0.96  0.44  0.49  1.0
  Pb  Pb1  1  0.96  0.44  0.96  1.0
  W  W2  1  0.96  0.44  0.8  1.0

data_CaPbW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.92
_cell_length_b   14.62
_cell_length_c   3.13
_cell_angle_alpha   90.0
_cell_angle_beta   128.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaPbW
_chemical_formula_sum   'Ca2 Pb2 W2'
_cell_volume   140.17
_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
  Ca  Ca0  2  0.44  0.0  0.55  1.0
  Pb  Pb1  2  0.44  0.0  0.08  1.0
  W  W2  2  0.44  0.0  0.24  1.0

Ca Pb W
Ca Pb W 0 2 o o o 1 2 o o o 