data_[Sm4As1Au1S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1075]
_cell_length_b [4.1126]
_cell_length_c [7.2050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0737]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4AsAuS2]
_chemical_formula_sum '[Sm4 As1 Au1 S2]'
_cell_volume [199.0430]
_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  0.2539  0.0000  0.7400  1.0
  Sm  Sm1  2  0.2599  0.5000  0.2649  1.0
  As  As2  1  0.5000  0.5000  0.0000  1.0
  Au  Au3  1  0.0000  0.0000  0.0000  1.0
  S  S4  1  0.0000  0.5000  0.5000  1.0
  S  S5  1  0.5000  0.0000  0.5000  1.0
]