data_[Sm6Cu6Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.4100]
_cell_length_b [3.8463]
_cell_length_c [7.6739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmCuHg]
_chemical_formula_sum '[Sm6 Cu6 Hg6]'
_cell_volume [395.8064]
_cell_formula_units_Z [6]
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  0.0477  0.0000  0.7587  1
  Sm  Sm1  2  0.2500  0.0000  0.1515  1
  Cu  Cu2  4  0.0882  0.5000  0.0525  1
  Cu  Cu3  2  0.2500  0.0000  0.5536  1
  Hg  Hg4  4  0.1181  0.5000  0.4216  1
  Hg  Hg5  2  0.2500  0.5000  0.8136  1
]