data_[Rb4Ga4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ga  1.8100  1.3000  0.7600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.7034]
_cell_length_b [12.6889]
_cell_length_c [7.0865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.5714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbGaSe3]
_chemical_formula_sum '[Rb4 Ga4 Se12]'
_cell_volume [691.9884]
_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  4  0.2396  0.5653  0.7463  1.0
  Ga  Ga1  4  0.1650  0.2290  0.6256  1.0
  Se  Se2  4  0.0133  0.6783  0.1492  1.0
  Se  Se3  4  0.2765  0.0711  0.7895  1.0
  Se  Se4  4  0.4198  0.1675  0.0431  1.0
]