data_[Sm4Er16Tl2]
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 [C2/m]
_cell_length_a [19.3288]
_cell_length_b [5.5083]
_cell_length_c [6.4186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3418]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Er8Tl]
_chemical_formula_sum '[Sm4 Er16 Tl2]'
_cell_volume [680.4090]
_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  0.2442  0.0000  0.3331  1.0
  Er  Er1  4  0.0444  0.0000  0.2715  1.0
  Er  Er2  4  0.0782  0.5000  0.5994  1.0
  Er  Er3  4  0.1524  0.0000  0.8070  1.0
  Er  Er4  4  0.1607  0.5000  0.1240  1.0
  Tl  Tl5  2  0.0000  0.5000  0.0000  1.0
]