data_[Rb4Cu4Sn4Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8628]
_cell_length_b [3.9592]
_cell_length_c [14.7780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [RbCuSnSe3]
_chemical_formula_sum '[Rb4 Cu4 Sn4 Se12]'
_cell_volume [694.0809]
_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  0.2197  0.7500  0.0037  1
  Cu  Cu1  4  0.2144  0.2500  0.2210  1
  Sn  Sn2  4  0.0630  0.2500  0.7608  1
  Se  Se3  4  0.0390  0.2500  0.1367  1
  Se  Se4  4  0.0964  0.7500  0.6350  1
  Se  Se5  4  0.2303  0.7500  0.3200  1
]