data_[Sr4Sc8Cu4S16]
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 [Cmcm]
_cell_length_a [3.8191]
_cell_length_b [12.6771]
_cell_length_c [13.1041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [SrSc2CuS4]
_chemical_formula_sum '[Sr4 Sc8 Cu4 S16]'
_cell_volume [634.4360]
_cell_formula_units_Z [4]
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  0.0000  0.1205  0.7500  1
  Sc  Sc1  8  0.0000  0.3739  0.5576  1
  Cu  Cu2  4  0.0000  0.1533  0.2500  1
  S  S3  8  0.0000  0.2665  0.1114  1
  S  S4  4  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.4444  0.7500  1
]