data_[Gd1Y1Tl2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.6447]
_cell_length_b [4.6447]
_cell_length_c [9.0234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [GdY(TlPt2)2]
_chemical_formula_sum '[Gd1 Y1 Tl2 Pt4]'
_cell_volume [168.5817]
_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
[
  Gd  Gd0  1  0.3333  0.6667  0.0000  1
  Y  Y1  1  0.0000  0.0000  0.5000  1
  Tl  Tl2  2  0.6667  0.3333  0.2506  1
  Pt  Pt3  2  0.0000  0.0000  0.1548  1
  Pt  Pt4  2  0.3333  0.6667  0.3458  1
]