data_TePb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.91
_cell_angle_alpha   135.01
_cell_angle_beta   135.01
_cell_angle_gamma   65.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePb2W
_chemical_formula_sum   'Te1 Pb2 W1'
_cell_volume   101.79
_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
  Te  Te2  1  0.0  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.26  0.49  1.0
  Pb  Pb1  1  0.26  0.0  0.49  1.0
  W  W3  1  0.0  0.0  0.97  1.0

data_TePb2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   122.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TePb2W
_chemical_formula_sum   'Te2 Pb4 W2'
_cell_volume   203.57
_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
  Te  Te0  2  0.0  0.0  0.0  1.0
  Pb  Pb1  4  0.15  0.37  0.78  1.0
  W  W2  2  0.03  0.0  0.03  1.0

Te Pb Pb W