data_[Sm8As2C2S4]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [5.6716]
_cell_length_b [5.6716]
_cell_length_c [11.3792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Sm4AsCS2]
_chemical_formula_sum '[Sm8 As2 C2 S4]'
_cell_volume [366.0312]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.2236  1.0
  Sm  Sm1  4  0.0000  0.5000  0.0014  1.0
  As  As2  2  0.0000  0.5000  0.7500  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
  S  S4  2  0.0000  0.0000  0.5000  1.0
  S  S5  2  0.0000  0.5000  0.2500  1.0
]