data_[Sm3Ho7Th1]
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
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [7.0345]
_cell_length_b [7.0345]
_cell_length_c [8.6856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Sm3Ho7Th]
_chemical_formula_sum '[Sm3 Ho7 Th1]'
_cell_volume [372.2229]
_cell_formula_units_Z [1]
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  3  0.1649  0.3298  0.2187  1
  Ho  Ho1  3  0.0013  0.5007  0.5535  1
  Ho  Ho2  3  0.3289  0.1644  0.8781  1
  Ho  Ho3  1  0.3333  0.6667  0.8804  1
  Th  Th4  1  0.0000  0.0000  0.5537  1
]