data_[Rb3Cu2Se3]
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 [Pm]
_cell_length_a [8.3002]
_cell_length_b [4.9044]
_cell_length_c [19.5014]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Rb3Cu2Se3]
_chemical_formula_sum '[Rb3 Cu2 Se3]'
_cell_volume [793.8600]
_cell_formula_units_Z [1]
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  1  0.4367  0.0000  0.4305  1
  Rb  Rb1  1  0.9725  0.0000  0.3985  1
  Rb  Rb2  1  0.9744  0.0000  0.6069  1
  Cu  Cu3  1  0.4158  0.5000  0.5618  1
  Cu  Cu4  1  0.6913  0.5000  0.4982  1
  Se  Se5  1  0.1757  0.5000  0.5074  1
  Se  Se6  1  0.6615  0.5000  0.6138  1
  Se  Se7  1  0.7031  0.5000  0.3830  1
]