data_[Sm6Er14Th2]
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 [6.9520]
_cell_length_b [18.5337]
_cell_length_c [6.5055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.6473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Er7Th]
_chemical_formula_sum '[Sm6 Er14 Th2]'
_cell_volume [713.5643]
_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  0.2500  0.2500  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Er  Er2  8  0.2251  0.1603  0.9450  1
  Er  Er3  4  0.0000  0.4137  0.5000  1
  Er  Er4  2  0.0000  0.0000  0.5000  1
  Th  Th5  2  0.0000  0.5000  0.0000  1
]