data_Ta2PtW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   5.17
_cell_angle_alpha   96.89
_cell_angle_beta   96.89
_cell_angle_gamma   32.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PtW
_chemical_formula_sum   'Ta2 Pt1 W1'
_cell_volume   68.11
_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  0.8  0.0  0.84  1.0
  Ta  Ta2  1  0.07  0.0  0.29  1.0
  Pt  Pt0  1  0.44  0.0  0.57  1.0
  W  W3  1  0.0  0.0  0.0  1.0

data_Ta2PtW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.96
_cell_length_c   5.17
_cell_angle_alpha   96.89
_cell_angle_beta   90.0
_cell_angle_gamma   106.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PtW
_chemical_formula_sum   'Ta2 Pt1 W1'
_cell_volume   68.11
_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  0.2  0.16  1.0
  Ta  Ta1  1  0.0  0.93  0.71  1.0
  Pt  Pt2  1  0.0  0.56  0.43  1.0
  W  W3  1  0.0  0.0  0.0  1.0

Ta Ta Pt W