data_[Er12Tl10Cd2]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2804]
_cell_length_b [11.0514]
_cell_length_c [10.1041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.3231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Tl5Cd]
_chemical_formula_sum '[Er12 Tl10 Cd2]'
_cell_volume [685.1345]
_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  8  0.2485  0.8349  0.2510  1.0
  Er  Er1  4  0.2456  0.0000  0.7470  1.0
  Tl  Tl2  4  0.0000  0.1679  0.5000  1.0
  Tl  Tl3  4  0.0000  0.3347  0.0000  1.0
  Tl  Tl4  2  0.0000  0.5000  0.5000  1.0
  Cd  Cd5  2  0.0000  0.0000  0.0000  1.0
]