data_[Rb12Ga4Se12]
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 [C2/m]
_cell_length_a [9.2610]
_cell_length_b [14.0225]
_cell_length_c [8.2002]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5032]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3GaSe3]
_chemical_formula_sum '[Rb12 Ga4 Se12]'
_cell_volume [1039.6342]
_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  0.0000  0.1787  0.5000  1.0
  Rb  Rb1  4  0.0000  0.2437  0.0000  1.0
  Rb  Rb2  4  0.1100  0.5000  0.3495  1.0
  Ga  Ga3  4  0.1674  0.0000  0.1497  1.0
  Se  Se4  8  0.2075  0.3583  0.7260  1.0
  Se  Se5  4  0.1012  0.0000  0.8345  1.0
]