data_[Y2Tl3Cu1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.6108]
_cell_length_b [4.8739]
_cell_length_c [8.5459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Y2Tl3Cu]
_chemical_formula_sum '[Y2 Tl3 Cu1]'
_cell_volume [150.3957]
_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
[
  Y  Y0  1  0.0000  0.0000  0.4928  1.0
  Y  Y1  1  0.0000  0.5000  0.0176  1.0
  Tl  Tl2  1  0.5000  0.0000  0.1888  1.0
  Tl  Tl3  1  0.5000  0.0000  0.8398  1.0
  Tl  Tl4  1  0.5000  0.5000  0.6376  1.0
  Cu  Cu5  1  0.5000  0.5000  0.3234  1.0
]