data_TaPb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   132.26
_cell_angle_beta   132.26
_cell_angle_gamma   69.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPb2W
_chemical_formula_sum   'Ta1 Pb2 W1'
_cell_volume   85.59
_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
  Ta  Ta2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.19  0.22  1.0
  Pb  Pb1  1  0.19  0.0  0.22  1.0
  W  W3  1  0.0  0.0  0.45  1.0

data_TaPb2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   5.42
_cell_angle_alpha   90.0
_cell_angle_beta   124.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaPb2W
_chemical_formula_sum   'Ta2 Pb4 W2'
_cell_volume   171.17
_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
  Ta  Ta0  2  0.0  0.0  0.0  1.0
  Pb  Pb1  4  0.37  0.4  0.97  1.0
  W  W2  2  0.05  0.5  0.55  1.0

Ta Pb Pb W