data_[Rb2Sc2Si2]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.1093]
_cell_length_b [5.1017]
_cell_length_c [11.9797]
_cell_angle_alpha [85.4282]
_cell_angle_beta [85.3681]
_cell_angle_gamma [66.3009]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [RbScSi]
_chemical_formula_sum '[Rb2 Sc2 Si2]'
_cell_volume [228.9088]
_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  2  0.2872  0.7761  0.8199  1
  Sc  Sc1  2  0.3754  0.7797  0.4357  1
  Si  Si2  2  0.0801  0.3808  0.4124  1
]