data_[Sm4Y2Er2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1590]
_cell_length_b [10.0017]
_cell_length_c [6.8879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sm2YErTl2]
_chemical_formula_sum '[Sm4 Y2 Er2 Tl4]'
_cell_volume [355.4114]
_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  2  0.0000  0.1873  0.3321  1.0
  Sm  Sm1  2  0.5000  0.0434  0.0549  1.0
  Y  Y2  2  0.0000  0.4571  0.9617  1.0
  Er  Er3  2  0.5000  0.3139  0.6778  1.0
  Tl  Tl4  2  0.0000  0.1421  0.7994  1.0
  Tl  Tl5  2  0.5000  0.3729  0.2196  1.0
]