data_[Tc2Pt4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7587]
_cell_length_b [2.8982]
_cell_length_c [6.7175]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcPt2Br]
_chemical_formula_sum '[Tc2 Pt4 Br2]'
_cell_volume [167.8609]
_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  Tc0  2  0.4628  0.0000  0.5857  1
  Pt  Pt1  2  0.2061  0.0000  0.7203  1
  Pt  Pt2  2  0.4568  0.5000  0.9189  1
  Br  Br3  2  0.3743  0.5000  0.2750  1
]