data_[Tl1Ga1Pd1Pt1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.8014]
_cell_length_b [4.0433]
_cell_length_c [6.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [TlGaPdPtSe]
_chemical_formula_sum '[Tl1 Ga1 Pd1 Pt1 Se1]'
_cell_volume [99.5689]
_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
[
  Tl  Tl0  1  0.0000  0.0000  0.3225  1
  Ga  Ga1  1  0.0000  0.5000  0.7307  1
  Pd  Pd2  1  0.5000  0.0000  0.7658  1
  Pt  Pt3  1  0.5000  0.5000  0.4587  1
  Se  Se4  1  0.5000  0.5000  0.0318  1
]