data_CaPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPb2W
_chemical_formula_sum   'Ca1 Pb2 W1'
_cell_volume   97.14
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.65  0.2  0.67  1.0
  Pb  Pb2  1  0.65  0.8  0.67  1.0
  W  W3  1  0.3  0.0  0.0  1.0

data_CaPb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   106.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPb2W
_chemical_formula_sum   'Ca1 Pb2 W1'
_cell_volume   97.14
_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  0.0  0.0  0.0  1.0
  Pb  Pb1  1  0.67  0.65  0.2  1.0
  Pb  Pb2  1  0.67  0.65  0.8  1.0
  W  W3  1  0.0  0.3  0.0  1.0

Ca Pb Pb W