data_[Sm6Hg2Ru2Cl2]
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
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9685]
_cell_length_b [4.4594]
_cell_length_c [9.4316]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7596]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sm3HgRuCl]
_chemical_formula_sum '[Sm6 Hg2 Ru2 Cl2]'
_cell_volume [326.8695]
_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  2  0.1720  0.7500  0.8972  1
  Sm  Sm1  2  0.2924  0.2500  0.5715  1
  Sm  Sm2  2  0.4096  0.2500  0.1784  1
  Hg  Hg3  2  0.1729  0.7500  0.2552  1
  Ru  Ru4  2  0.4100  0.2500  0.8828  1
  Cl  Cl5  2  0.0894  0.7500  0.5982  1
]