data_[Rb10Sc4Se10]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5755]
_cell_length_b [4.4594]
_cell_length_c [12.3533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8577]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb5Sc2Se5]
_chemical_formula_sum '[Rb10 Sc4 Se10]'
_cell_volume [836.5027]
_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
[
  Rb  Rb0  4  0.1609  0.5000  0.0888  1
  Rb  Rb1  4  0.2250  0.0000  0.6253  1
  Rb  Rb2  2  0.0000  0.5000  0.5000  1
  Sc  Sc3  4  0.0327  0.0000  0.8033  1
  Se  Se4  4  0.1067  0.0000  0.3513  1
  Se  Se5  4  0.1297  0.5000  0.7904  1
  Se  Se6  2  0.0000  0.0000  0.0000  1
]