data_[Rb4Cu4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.4028]
_cell_length_b [12.5884]
_cell_length_c [7.4892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5026]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbCuSe3]
_chemical_formula_sum '[Rb4 Cu4 Se12]'
_cell_volume [581.6679]
_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  0.1667  0.2500  1.0
  Cu  Cu1  4  0.0000  0.4611  0.2500  1.0
  Se  Se2  8  0.2152  0.4312  0.0519  1.0
  Se  Se3  4  0.0000  0.1805  0.7500  1.0
]