data_[Sm4Er16Th4]
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/c]
_cell_length_a [8.7843]
_cell_length_b [14.4557]
_cell_length_c [6.5831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9435]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [SmEr4Th]
_chemical_formula_sum '[Sm4 Er16 Th4]'
_cell_volume [785.8142]
_cell_formula_units_Z [4]
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  0.0000  0.4126  0.7500  1
  Er  Er1  8  0.0924  0.1929  0.0323  1
  Er  Er2  8  0.2034  0.3696  0.3764  1
  Th  Th3  4  0.0000  0.0011  0.2500  1
]