data_[Sm4Er8Tl6H4]
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
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7528]
_cell_length_b [4.7528]
_cell_length_c [24.4319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Sm2Er4Tl3H2]
_chemical_formula_sum '[Sm4 Er8 Tl6 H4]'
_cell_volume [551.8960]
_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  0.0000  0.0000  0.3037  1
  Er  Er1  8  0.0000  0.5000  0.0827  1
  Tl  Tl2  4  0.0000  0.0000  0.1716  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  H  H4  4  0.0000  0.0000  0.4019  1
]