data_[Er10Tl2]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.2116]
_cell_length_b [4.9105]
_cell_length_c [6.8549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er5Tl]
_chemical_formula_sum '[Er10 Tl2]'
_cell_volume [349.9213]
_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  0.1524  0.5000  0.3194  1
  Er  Er1  4  0.1875  0.5000  0.8287  1
  Er  Er2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
]