data_[Sm8Er6Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2551]
_cell_length_b [7.0821]
_cell_length_c [6.2258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm4Er3Tl]
_chemical_formula_sum '[Sm8 Er6 Tl2]'
_cell_volume [496.2540]
_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
[
  Sm  Sm0  4  0.2311  0.1322  0.9896  1.0
  Sm  Sm1  2  0.0000  0.1315  0.6218  1.0
  Sm  Sm2  2  0.0000  0.8689  0.1718  1.0
  Er  Er3  4  0.2461  0.6168  0.9708  1.0
  Er  Er4  2  0.0000  0.6296  0.6486  1.0
  Tl  Tl5  2  0.0000  0.3924  0.1522  1.0
]