data_Ta2SiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.24
_cell_angle_alpha   142.75
_cell_angle_beta   129.88
_cell_angle_gamma   64.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiW
_chemical_formula_sum   'Ta2 Si1 W1'
_cell_volume   65.84
_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  0.67  0.0  0.04  1.0
  Ta  Ta2  1  0.0  0.0  0.28  1.0
  Si  Si0  1  0.0  0.0  0.58  1.0
  W  W3  1  0.67  0.0  0.42  1.0

data_Ta2SiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   4.44
_cell_length_c   5.24
_cell_angle_alpha   115.06
_cell_angle_beta   108.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2SiW
_chemical_formula_sum   'Ta2 Si1 W1'
_cell_volume   65.84
_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  0.04  0.37  1.0
  Ta  Ta1  1  0.0  0.28  0.28  1.0
  Si  Si2  1  0.0  0.58  0.58  1.0
  W  W3  1  0.0  0.42  0.75  1.0

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