data_SbTeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   5.53
_cell_angle_alpha   101.35
_cell_angle_beta   101.35
_cell_angle_gamma   39.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeW2
_chemical_formula_sum   'Sb1 Te1 W2'
_cell_volume   76.31
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.85  0.0  0.71  1.0
  W  W2  1  0.34  0.0  0.36  1.0
  W  W3  1  0.36  0.0  0.05  1.0

data_SbTeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   4.7
_cell_length_c   5.53
_cell_angle_alpha   101.35
_cell_angle_beta   90.0
_cell_angle_gamma   109.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTeW2
_chemical_formula_sum   'Sb1 Te1 W2'
_cell_volume   76.31
_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
  Sb  Sb0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.15  0.29  1.0
  W  W2  1  0.0  0.64  0.95  1.0
  W  W3  1  0.0  0.66  0.64  1.0

Sb Te W W
Sb Te W W 0 1 - o - 0 3 o o o 2 3 o o o 