data_TeOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.21
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   100.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsW2
_chemical_formula_sum   'Te1 Os1 W2'
_cell_volume   68.34
_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  0.0  1.0
  Os  Os0  1  0.5  0.0  0.75  1.0
  W  W2  1  0.13  0.11  0.47  1.0
  W  W3  1  0.81  0.11  0.03  1.0

data_TeOsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.21
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   100.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeOsW2
_chemical_formula_sum   'Te1 Os1 W2'
_cell_volume   68.34
_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  Te0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.5  0.0  0.75  1.0
  W  W2  1  0.13  0.11  0.47  1.0
  W  W3  1  0.81  0.11  0.03  1.0

Te Os W W
Te Os W W 0 3 - o o 0 1 - o - 1 2 o o o 1 3 o o + 