data_[Sm24Er12Tl4]
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 [Cmc2_1]
_cell_length_a [9.7905]
_cell_length_b [20.3912]
_cell_length_c [6.3967]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sm6Er3Tl]
_chemical_formula_sum '[Sm24 Er12 Tl4]'
_cell_volume [1277.0275]
_cell_formula_units_Z [4]
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  8  0.1818  0.4450  0.0563  1
  Sm  Sm1  8  0.1854  0.2833  0.8399  1
  Sm  Sm2  4  0.0000  0.0186  0.3091  1
  Sm  Sm3  4  0.0000  0.2858  0.2803  1
  Er  Er4  8  0.1701  0.1263  0.9812  1
  Er  Er5  4  0.0000  0.4118  0.5838  1
  Tl  Tl6  4  0.0000  0.1538  0.5573  1
]