data_[Er12Tl10In2]
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
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8526]
_cell_length_b [11.1273]
_cell_length_c [6.3952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Tl5In]
_chemical_formula_sum '[Er12 Tl10 In2]'
_cell_volume [683.7438]
_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  0.2495  0.3342  0.7498  1
  Er  Er1  4  0.2484  0.5000  0.2455  1
  Tl  Tl2  4  0.0000  0.1639  0.5000  1
  Tl  Tl3  4  0.0000  0.3299  0.0000  1
  Tl  Tl4  2  0.0000  0.5000  0.5000  1
  In  In5  2  0.0000  0.0000  0.0000  1
]