data_Tc4Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   99.85
_cell_angle_beta   99.85
_cell_angle_gamma   131.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc4Pt
_chemical_formula_sum   'Tc4 Pt1'
_cell_volume   73.54
_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  0.85  0.43  0.97  1.0
  Tc  Tc2  1  0.21  0.63  0.0  1.0
  Tc  Tc3  1  0.57  0.85  0.97  1.0
  Tc  Tc4  1  0.49  0.21  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_Tc4Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   80.15
_cell_angle_beta   65.56
_cell_angle_gamma   65.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc4Pt
_chemical_formula_sum   'Tc4 Pt1'
_cell_volume   73.54
_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  Tc0  1  0.21  -0.0  0.28  1.0
  Tc  Tc1  1  0.47  0.97  0.42  1.0
  Tc  Tc2  1  0.63  -0.0  0.58  1.0
  Tc  Tc3  1  0.88  0.97  0.72  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0

Tc Tc Tc Tc Pt
Tc Tc Tc Tc Pt 0 3 o o + 0 1 + o + 1 2 o o - 2 4 + + + 3 4 o o o 