data_[Sm4Er16Th2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0388]
_cell_length_b [5.0124]
_cell_length_c [7.9056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Er8Th]
_chemical_formula_sum '[Sm4 Er16 Th2]'
_cell_volume [689.8527]
_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  0.2280  0.0000  0.6361  1
  Er  Er1  4  0.0442  0.0000  0.7313  1
  Er  Er2  4  0.0896  0.5000  0.4520  1
  Er  Er3  4  0.1348  0.0000  0.1779  1
  Er  Er4  4  0.1800  0.5000  0.9070  1
  Th  Th5  2  0.0000  0.5000  0.0000  1
]