data_[Sm6Tl2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.6604]
_cell_length_b [4.1112]
_cell_length_c [8.6669]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.4186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Sm3TlSb]
_chemical_formula_sum '[Sm6 Tl2 Sb2]'
_cell_volume [305.2555]
_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  1  0.0459  0.0000  0.4564  1
  Sm  Sm1  1  0.0796  0.5000  0.0906  1
  Sm  Sm2  1  0.4238  0.0000  0.1382  1
  Sm  Sm3  1  0.4316  0.5000  0.7681  1
  Sm  Sm4  1  0.6121  0.0000  0.5043  1
  Sm  Sm5  1  0.7700  0.0000  0.9418  1
  Tl  Tl6  1  0.1653  0.0000  0.8282  1
  Tl  Tl7  1  0.7511  0.5000  0.2347  1
  Sb  Sb8  1  0.3213  0.5000  0.4003  1
  Sb  Sb9  1  0.8637  0.5000  0.6958  1
]