data_[Sr4Sc2Cu4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2396]
_cell_length_b [3.8277]
_cell_length_c [7.0143]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8897]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Sc(CuS2)2]
_chemical_formula_sum '[Sr4 Sc2 Cu4 S8]'
_cell_volume [357.1839]
_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
[
  Sr  Sr0  4  0.1330  0.0000  0.5668  1
  Sc  Sc1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.1805  0.5000  0.9937  1
  S  S3  4  0.0181  0.5000  0.7528  1
  S  S4  4  0.2020  0.0000  0.2026  1
]