data_[Rb6Ga2Se6]
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 [Cm]
_cell_length_a [6.8228]
_cell_length_b [16.2416]
_cell_length_c [18.1334]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Rb3GaSe3]
_chemical_formula_sum '[Rb6 Ga2 Se6]'
_cell_volume [2009.4184]
_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  4  0.4429  0.1620  0.5424  1
  Rb  Rb1  2  0.1039  0.0000  0.3757  1
  Ga  Ga2  2  0.3148  0.5000  0.5182  1
  Se  Se3  4  0.4493  0.3728  0.5485  1
  Se  Se4  2  0.0722  0.5000  0.4245  1
]