data_[Sm4As2Au1S1]
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 [7.1784]
_cell_length_b [4.1488]
_cell_length_c [7.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9118]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sm4As2AuS]
_chemical_formula_sum '[Sm4 As2 Au1 S1]'
_cell_volume [207.0020]
_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  0.2444  0.0000  0.7385  1.0
  Sm  Sm1  2  0.2458  0.5000  0.2568  1.0
  As  As2  1  0.0000  0.0000  0.0000  1.0
  As  As3  1  0.0000  0.5000  0.5000  1.0
  Au  Au4  1  0.5000  0.5000  0.0000  1.0
  S  S5  1  0.5000  0.0000  0.5000  1.0
]