data_TcPtW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.98
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPtW2
_chemical_formula_sum   'Tc1 Pt1 W2'
_cell_volume   62.11
_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
  Tc  Tc1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.8  1.0
  W  W2  1  0.39  0.99  0.35  1.0
  W  W3  1  0.39  0.99  0.26  1.0

data_TcPtW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.79
_cell_length_b   3.98
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TcPtW2
_chemical_formula_sum   'Tc1 Pt1 W2'
_cell_volume   62.11
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Tc  Tc0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.8  1.0
  W  W2  1  0.39  0.0  0.26  1.0
  W  W3  1  0.39  0.0  0.35  1.0

Tc Pt W W
Tc Pt W W 0 1 o o - 2 3 o o o 