data_[Tl1Ni1Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0218]
_cell_length_b [3.8044]
_cell_length_c [5.0859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4323]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlNiSb2]
_chemical_formula_sum '[Tl1 Ni1 Sb2]'
_cell_volume [94.5064]
_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  0.5000  0.5000  0.0000  1
  Ni  Ni1  1  0.5000  0.0000  0.5000  1
  Sb  Sb2  1  0.0000  0.0000  0.0000  1
  Sb  Sb3  1  0.0000  0.5000  0.5000  1
]