data_TePtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.78
_cell_length_b   6.78
_cell_length_c   6.78
_cell_angle_alpha   153.76
_cell_angle_beta   153.76
_cell_angle_gamma   37.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePtW
_chemical_formula_sum   'Te1 Pt1 W1'
_cell_volume   60.76
_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  Te1  1  0.0  0.0  0.9  1.0
  Pt  Pt0  1  0.0  0.0  0.44  1.0
  W  W2  1  0.0  0.0  0.5  1.0

data_TePtW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.35
_cell_length_b   4.35
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   108.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TePtW
_chemical_formula_sum   'Te2 Pt2 W2'
_cell_volume   121.53
_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  0.4  0.5  0.9  1.0
  Pt  Pt1  2  0.44  0.0  0.44  1.0
  W  W2  2  0.0  0.5  0.5  1.0

Te Pt W
Te Pt W 0 0 + o + 0 0 o + + 0 2 o o o 0 1 o o o 1 2 o o o 