data_TaOs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.79
_cell_angle_alpha   99.4
_cell_angle_beta   99.4
_cell_angle_gamma   33.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs2W
_chemical_formula_sum   'Ta1 Os2 W1'
_cell_volume   63.25
_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
  Ta  Ta2  1  0.36  0.0  0.45  1.0
  Os  Os0  1  0.38  0.0  0.04  1.0
  Os  Os1  1  0.87  0.0  0.53  1.0
  W  W3  1  0.8  0.0  0.06  1.0

data_TaOs2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.79
_cell_length_c   4.94
_cell_angle_alpha   99.4
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOs2W
_chemical_formula_sum   'Ta1 Os2 W1'
_cell_volume   63.25
_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
  Ta  Ta0  1  0.0  0.45  0.36  1.0
  Os  Os1  1  0.0  0.04  0.38  1.0
  Os  Os2  1  0.0  0.53  0.87  1.0
  W  W3  1  0.0  0.06  0.8  1.0

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