data_[Sm24Hg4Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1548]
_cell_length_b [13.7634]
_cell_length_c [21.2832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm6HgSe4]
_chemical_formula_sum '[Sm24 Hg4 Se16]'
_cell_volume [1217.0603]
_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  8  0.0000  0.0465  0.1639  1
  Sm  Sm1  8  0.0000  0.2271  0.5851  1
  Sm  Sm2  4  0.0000  0.3315  0.2500  1
  Sm  Sm3  4  0.0000  0.5000  0.0000  1
  Hg  Hg4  4  0.0000  0.3380  0.7500  1
  Se  Se5  8  0.0000  0.1379  0.0403  1
  Se  Se6  8  0.0000  0.4099  0.1241  1
]