data_[Tl1Zn1Ag1Pt1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Zn  1.6500  1.3500  0.8800
  Ag  1.9300  1.6000  1.0867
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0034]
_cell_length_b [2.9774]
_cell_length_c [9.0184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.4217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TlZnAgPtSe]
_chemical_formula_sum '[Tl1 Zn1 Ag1 Pt1 Se1]'
_cell_volume [105.3671]
_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  0.4290  0.5000  0.6850  1
  Zn  Zn1  1  0.1488  0.0000  0.1809  1
  Ag  Ag2  1  0.5896  0.5000  0.0417  1
  Pt  Pt3  1  0.0203  0.0000  0.8859  1
  Se  Se4  1  0.7253  0.0000  0.3589  1
]