data_[Sm4Ho2Sc2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [4.9968]
_cell_length_b [9.9310]
_cell_length_c [6.9050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Sm2HoScTl2]
_chemical_formula_sum '[Sm4 Ho2 Sc2 Tl4]'
_cell_volume [342.6466]
_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  0.1889  0.3376  1.0
  Sm  Sm1  2  0.5000  0.0470  0.0569  1.0
  Ho  Ho2  2  0.0000  0.4555  0.9576  1.0
  Sc  Sc3  2  0.5000  0.3107  0.6686  1.0
  Tl  Tl4  2  0.0000  0.1468  0.7964  1.0
  Tl  Tl5  2  0.5000  0.3845  0.2285  1.0
]