data_[Sm6Ho8Tl2]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.2497]
_cell_length_b [7.0719]
_cell_length_c [6.2043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3Ho4Tl]
_chemical_formula_sum '[Sm6 Ho8 Tl2]'
_cell_volume [493.6000]
_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  0.2382  0.6161  0.9740  1.0
  Sm  Sm1  2  0.0000  0.6299  0.6260  1.0
  Ho  Ho2  4  0.2394  0.1236  0.9894  1.0
  Ho  Ho3  2  0.0000  0.1283  0.6434  1.0
  Ho  Ho4  2  0.0000  0.8791  0.1656  1.0
  Tl  Tl5  2  0.0000  0.3644  0.1533  1.0
]