data_[Er8Tl2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2423]
_cell_length_b [7.0261]
_cell_length_c [6.7852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6825]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Er4TlNi]
_chemical_formula_sum '[Er8 Tl2 Ni2]'
_cell_volume [344.5495]
_cell_formula_units_Z [2]
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
[
  Er  Er0  4  0.1868  0.1390  0.3941  1
  Er  Er1  4  0.3645  0.6656  0.3197  1
  Tl  Tl2  2  0.0000  0.0000  0.0000  1
  Ni  Ni3  2  0.5000  0.0000  0.5000  1
]