data_[Sm16Co2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9033]
_cell_length_b [5.2287]
_cell_length_c [6.8995]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7836]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm8CoHg2]
_chemical_formula_sum '[Sm16 Co2 Hg4]'
_cell_volume [632.2504]
_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  0.0214  0.0000  0.7794  1.0
  Sm  Sm1  4  0.0878  0.5000  0.4364  1.0
  Sm  Sm2  4  0.1477  0.5000  0.9618  1.0
  Sm  Sm3  4  0.2023  0.0000  0.3074  1.0
  Co  Co4  2  0.0000  0.5000  0.0000  1.0
  Hg  Hg5  4  0.1922  0.0000  0.7393  1.0
]