data_[Rb4Sb4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.8242]
_cell_length_b [4.1773]
_cell_length_c [13.6176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0607]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbSbSe2]
_chemical_formula_sum '[Rb4 Sb4 Se8]'
_cell_volume [534.2612]
_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  2  0.1640  0.7500  0.6443  1.0
  Rb  Rb1  2  0.4414  0.2500  0.1424  1.0
  Sb  Sb2  2  0.0787  0.7500  0.8976  1.0
  Sb  Sb3  2  0.3283  0.2500  0.4082  1.0
  Se  Se4  2  0.1354  0.7500  0.3884  1.0
  Se  Se5  2  0.1452  0.7500  0.0972  1.0
  Se  Se6  2  0.2686  0.2500  0.8818  1.0
  Se  Se7  2  0.4364  0.2500  0.6066  1.0
]