data_[Zr10Tl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [5.3909]
_cell_length_b [15.7714]
_cell_length_c [5.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [ZrTl]
_chemical_formula_sum '[Zr10 Tl10]'
_cell_volume [478.3727]
_cell_formula_units_Z [10]
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
[
  Zr  Zr0  4  0.0000  0.0922  0.0964  1
  Zr  Zr1  4  0.5000  0.0933  0.7673  1
  Zr  Zr2  2  0.5000  0.0000  0.2602  1
  Tl  Tl3  4  0.0000  0.2029  0.6257  1
  Tl  Tl4  4  0.5000  0.1958  0.2522  1
  Tl  Tl5  2  0.0000  0.0000  0.5897  1
]