data_[Rb4Sc4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sc  1.3600  1.6000  0.8850
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.8723]
_cell_length_b [15.8754]
_cell_length_c [10.1947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbScCuSe3]
_chemical_formula_sum '[Rb4 Sc4 Cu4 Se12]'
_cell_volume [626.7112]
_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
[
  Rb  Rb0  4  0.0000  0.2507  0.2500  1.0
  Sc  Sc1  4  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.0000  0.4717  0.7500  1.0
  Se  Se3  8  0.0000  0.3854  0.5567  1.0
  Se  Se4  4  0.0000  0.0656  0.7500  1.0
]