data_TcPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt
_chemical_formula_sum   'Tc4 Pt4'
_cell_volume   169.46
_cell_formula_units_Z   4
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  Tc4  1  0.13  0.23  0.01  1.0
  Tc  Tc5  1  0.0  0.46  0.4  1.0
  Tc  Tc6  1  0.0  0.46  0.76  1.0
  Tc  Tc7  1  0.13  0.23  0.37  1.0
  Pt  Pt0  1  0.0  0.0  0.69  1.0
  Pt  Pt1  1  0.0  0.0  0.08  1.0
  Pt  Pt2  1  0.13  0.23  0.08  1.0
  Pt  Pt3  1  0.0  0.46  0.69  1.0

data_TcPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   4.26
_cell_length_c   10.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt
_chemical_formula_sum   'Tc4 Pt4'
_cell_volume   169.46
_cell_formula_units_Z   4
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  Tc0  1  -0.0  0.46  0.4  1.0
  Tc  Tc1  1  -0.0  0.46  0.76  1.0
  Tc  Tc2  1  0.13  0.23  0.01  1.0
  Tc  Tc3  1  0.13  0.23  0.37  1.0
  Pt  Pt4  1  -0.0  0.46  0.69  1.0
  Pt  Pt5  1  0.0  0.0  0.08  1.0
  Pt  Pt6  1  0.0  0.0  0.69  1.0
  Pt  Pt7  1  0.13  0.23  0.08  1.0

Tc Tc Tc Tc Pt Pt Pt Pt
Tc Tc Tc Tc Pt Pt Pt Pt 0 6 o o o 1 3 o o o 2 7 o o o 2 4 o o o 2 4 o + o 4 7 o o o 4 7 o - o 5 6 o o o 