data_[Sm13Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4987]
_cell_length_b [8.6173]
_cell_length_c [9.4659]
_cell_angle_alpha [68.6725]
_cell_angle_beta [78.5401]
_cell_angle_gamma [82.2441]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm13Hg2]
_chemical_formula_sum '[Sm13 Hg2]'
_cell_volume [482.8095]
_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  0.0517  0.4206  0.7055  1.0
  Sm  Sm1  2  0.2078  0.1787  0.2319  1.0
  Sm  Sm2  2  0.2507  0.5961  0.9458  1.0
  Sm  Sm3  2  0.2868  0.9873  0.6489  1.0
  Sm  Sm4  2  0.4600  0.3717  0.4140  1.0
  Sm  Sm5  2  0.4749  0.7956  0.1544  1.0
  Sm  Sm6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1254  0.7890  0.4523  1.0
]