data_[Er8Tl4In2]
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 [P2_1/m]
_cell_length_a [7.3154]
_cell_length_b [6.5865]
_cell_length_c [8.9750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2405]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Er4Tl2In]
_chemical_formula_sum '[Er8 Tl4 In2]'
_cell_volume [405.7345]
_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  0.3340  0.5037  0.7764  1
  Er  Er1  2  0.1972  0.2500  0.1558  1
  Er  Er2  2  0.4240  0.7500  0.4556  1
  Tl  Tl3  2  0.0685  0.2500  0.4525  1
  Tl  Tl4  2  0.2855  0.7500  0.0569  1
  In  In5  2  0.0068  0.7500  0.2154  1
]