data_[Sm6Th2Sn6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Th  1.3000  1.8000  1.0800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P6_3/m]
_cell_length_a [9.3050]
_cell_length_b [9.3050]
_cell_length_c [5.5151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [176]
_chemical_formula_structural [Sm3ThSn3]
_chemical_formula_sum '[Sm6 Th2 Sn6]'
_cell_volume [413.5383]
_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  6  0.0052  0.2445  0.2500  1
  Th  Th1  2  0.3333  0.6667  0.2500  1
  Sn  Sn2  6  0.0746  0.4514  0.7500  1
]