data_[Rb2In2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3766]
_cell_length_b [4.0230]
_cell_length_c [9.7895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3371]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbInCuSe3]
_chemical_formula_sum '[Rb2 In2 Cu2 Se6]'
_cell_volume [350.5248]
_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  2  0.1986  0.2500  0.2400  1.0
  In  In1  2  0.3397  0.7500  0.8750  1.0
  Cu  Cu2  2  0.0705  0.2500  0.5933  1.0
  Se  Se3  2  0.1312  0.2500  0.8568  1.0
  Se  Se4  2  0.1927  0.7500  0.5444  1.0
  Se  Se5  2  0.4729  0.7500  0.1671  1.0
]