data_[Rb2Sc2Zn2Se6]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.1608]
_cell_length_b [4.0227]
_cell_length_c [9.9803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6484]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbScZnSe3]
_chemical_formula_sum '[Rb2 Sc2 Zn2 Se6]'
_cell_volume [341.8427]
_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  0.2171  0.7500  0.2428  1
  Sc  Sc1  2  0.3334  0.2500  0.8671  1
  Zn  Zn2  2  0.0845  0.7500  0.6098  1
  Se  Se3  2  0.1250  0.7500  0.8641  1
  Se  Se4  2  0.2110  0.2500  0.5478  1
  Se  Se5  2  0.4739  0.2500  0.1522  1
]