data_TaOsW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   2.79
_cell_angle_alpha   99.97
_cell_angle_beta   99.97
_cell_angle_gamma   117.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsW2
_chemical_formula_sum   'Ta1 Os1 W2'
_cell_volume   64.64
_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  Ta1  1  0.0  0.0  0.0  1.0
  Os  Os0  1  0.73  0.0  0.0  1.0
  W  W2  1  0.9  0.25  0.32  1.0
  W  W3  1  0.9  0.75  0.32  1.0

data_TaOsW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   5.24
_cell_length_c   5.26
_cell_angle_alpha   116.7
_cell_angle_beta   99.97
_cell_angle_gamma   100.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsW2
_chemical_formula_sum   'Ta1 Os1 W2'
_cell_volume   64.64
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.73  1.0
  W  W2  1  0.07  0.75  0.65  1.0
  W  W3  1  0.56  0.25  0.15  1.0

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