data_[Sm4Cu4Hg4]
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 [C2/m]
_cell_length_a [10.1549]
_cell_length_b [4.4215]
_cell_length_c [7.1560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.1834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmCuHg]
_chemical_formula_sum '[Sm4 Cu4 Hg4]'
_cell_volume [262.6048]
_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  4  0.0571  0.5000  0.3072  1.0
  Cu  Cu1  4  0.1391  0.0000  0.6723  1.0
  Hg  Hg2  4  0.1805  0.0000  0.1080  1.0
]