data_HgTeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   154.29
_cell_angle_beta   154.29
_cell_angle_gamma   36.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HgTeW
_chemical_formula_sum   'Hg1 Te1 W1'
_cell_volume   71.72
_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
  Hg  Hg0  1  0.0  0.0  0.51  1.0
  Te  Te1  1  0.0  0.0  0.99  1.0
  W  W2  1  0.0  0.0  0.27  1.0

data_HgTeW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   108.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HgTeW
_chemical_formula_sum   'Hg2 Te2 W2'
_cell_volume   143.44
_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
  Hg  Hg0  2  0.0  0.0  0.49  1.0
  Te  Te1  2  0.0  0.0  0.01  1.0
  W  W2  2  0.0  0.0  0.73  1.0

Hg Te W
Hg Te W 0 2 o o o 1 2 o o + 