data_TcPt2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.95
_cell_length_b   9.95
_cell_length_c   9.95
_cell_angle_alpha   16.59
_cell_angle_beta   16.59
_cell_angle_gamma   16.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcPt2Br
_chemical_formula_sum   'Tc1 Pt2 Br1'
_cell_volume   69.95
_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  Tc3  1  0.0  0.0  0.71  1.0
  Pt  Pt1  1  0.0  0.0  0.4  1.0
  Pt  Pt2  1  0.0  0.0  0.02  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_TcPt2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.97
_cell_length_b   2.87
_cell_length_c   9.95
_cell_angle_alpha   90.0
_cell_angle_beta   99.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TcPt2Br
_chemical_formula_sum   'Tc2 Pt4 Br2'
_cell_volume   139.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.29  1.0
  Pt  Pt1  2  0.0  0.0  0.6  1.0
  Pt  Pt2  2  0.0  0.0  0.98  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Tc Pt Pt Br