data_[Rb4Cu12Se8]
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/m]
_cell_length_a [15.2666]
_cell_length_b [4.0183]
_cell_length_c [8.5554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3531]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbCu3Se2]
_chemical_formula_sum '[Rb4 Cu12 Se8]'
_cell_volume [488.8165]
_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  0.1399  0.0000  0.0482  1
  Cu  Cu1  4  0.0583  0.0000  0.4092  1
  Cu  Cu2  4  0.0837  0.5000  0.6245  1
  Cu  Cu3  4  0.1882  0.5000  0.4474  1
  Se  Se4  4  0.0246  0.5000  0.2336  1
  Se  Se5  4  0.1930  0.0000  0.6776  1
]