data_[Sm4Hg5Au2]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7562]
_cell_length_b [3.7557]
_cell_length_c [9.9099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4Hg5Au2]
_chemical_formula_sum '[Sm4 Hg5 Au2]'
_cell_volume [287.5748]
_cell_formula_units_Z [1]
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  0.1787  0.5000  0.8685  1.0
  Sm  Sm1  2  0.2424  0.5000  0.4354  1.0
  Hg  Hg2  2  0.1700  0.0000  0.1460  1.0
  Hg  Hg3  2  0.4572  0.0000  0.6833  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Au  Au5  2  0.0724  0.0000  0.6363  1.0
]