data_[Sc8Bi2S2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Bi  2.0200  1.6000  1.0350
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.0656]
_cell_length_b [9.9969]
_cell_length_c [6.6639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sc4BiS]
_chemical_formula_sum '[Sc8 Bi2 S2]'
_cell_volume [337.4577]
_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
[
  Sc  Sc0  4  0.0000  0.2437  0.1692  1
  Sc  Sc1  2  0.0000  0.0000  0.8297  1
  Sc  Sc2  2  0.0000  0.5000  0.8704  1
  Bi  Bi3  2  0.0000  0.5000  0.3951  1
  S  S4  2  0.0000  0.0000  0.2117  1
]