data_TcPt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt3
_chemical_formula_sum   'Tc2 Pt6'
_cell_volume   122.93
_cell_formula_units_Z   2
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  Tc6  1  0.78  0.61  0.44  1.0
  Tc  Tc7  1  0.0  0.21  0.15  1.0
  Pt  Pt0  1  0.0  0.64  0.44  1.0
  Pt  Pt1  1  0.78  0.17  0.15  1.0
  Pt  Pt2  1  0.36  0.99  0.44  1.0
  Pt  Pt3  1  0.42  0.82  0.15  1.0
  Pt  Pt4  1  0.64  0.99  0.44  1.0
  Pt  Pt5  1  0.14  0.82  0.15  1.0

data_TcPt3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.59
_cell_length_b   5.56
_cell_length_c   5.56
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TcPt3
_chemical_formula_sum   'Tc2 Pt6'
_cell_volume   122.93
_cell_formula_units_Z   2
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  2  0.15  0.39  0.2  1.0
  Pt  Pt1  2  0.15  0.25  0.59  1.0
  Pt  Pt2  2  0.15  0.61  0.24  1.0
  Pt  Pt3  2  0.15  0.97  0.59  1.0

Tc Tc Pt Pt Pt Pt Pt Pt