data_[Y8Er8Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0767]
_cell_length_b [5.4466]
_cell_length_c [9.4006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2Er2Tl]
_chemical_formula_sum '[Y8 Er8 Tl4]'
_cell_volume [596.3315]
_cell_formula_units_Z [4]
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  4  0.0239  0.0000  0.3410  1.0
  Y  Y1  4  0.1542  0.0000  0.0500  1.0
  Er  Er2  4  0.0217  0.5000  0.8410  1.0
  Er  Er3  4  0.1501  0.5000  0.5519  1.0
  Tl  Tl4  4  0.2496  0.5000  0.2555  1.0
]