data_Tc2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.62
_cell_angle_alpha   94.45
_cell_angle_beta   94.45
_cell_angle_gamma   33.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PtBr
_chemical_formula_sum   'Tc2 Pt1 Br1'
_cell_volume   65.09
_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  Tc2  1  0.06  0.0  0.09  1.0
  Tc  Tc3  1  0.97  0.0  0.06  1.0
  Pt  Pt1  1  0.37  0.0  0.56  1.0
  Br  Br0  1  0.68  0.0  0.19  1.0

data_Tc2PtBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.62
_cell_length_c   5.09
_cell_angle_alpha   94.45
_cell_angle_beta   106.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2PtBr
_chemical_formula_sum   'Tc2 Pt1 Br1'
_cell_volume   65.09
_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  0.0  0.06  0.97  1.0
  Tc  Tc1  1  0.0  0.09  0.06  1.0
  Pt  Pt2  1  0.0  0.56  0.37  1.0
  Br  Br3  1  0.0  0.19  0.68  1.0

Tc Tc Pt Br