data_[Sm5Er4Th2]
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 [P2/m]
_cell_length_a [8.8132]
_cell_length_b [3.5060]
_cell_length_c [11.7865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2806]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm5(Er2Th)2]
_chemical_formula_sum '[Sm5 Er4 Th2]'
_cell_volume [363.1755]
_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  2  0.1922  0.0000  0.1612  1
  Sm  Sm1  2  0.4279  0.0000  0.7093  1
  Sm  Sm2  1  0.5000  0.0000  0.0000  1
  Er  Er3  2  0.1614  0.5000  0.8911  1
  Er  Er4  2  0.3029  0.5000  0.4542  1
  Th  Th5  2  0.0377  0.0000  0.6339  1
]