data_[Rb2Sb2Se3S1]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8706]
_cell_length_b [7.0292]
_cell_length_c [7.2318]
_cell_angle_alpha [110.4936]
_cell_angle_beta [109.3795]
_cell_angle_gamma [95.5413]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Rb2Sb2Se3S]
_chemical_formula_sum '[Rb2 Sb2 Se3 S1]'
_cell_volume [299.5392]
_cell_formula_units_Z [1]
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  1  0.3498  0.6521  0.2503  1
  Rb  Rb1  1  0.6575  0.3546  0.7660  1
  Sb  Sb2  1  0.0780  0.9165  0.7424  1
  Sb  Sb3  1  0.9154  0.0721  0.2501  1
  Se  Se4  1  0.1313  0.2746  0.7143  1
  Se  Se5  1  0.2769  0.1262  0.2081  1
  Se  Se6  1  0.7163  0.8636  0.7800  1
  S  S7  1  0.8749  0.7403  0.2889  1
]