data_[Rb2Er2Cu2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  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 [9.3960]
_cell_length_b [4.0538]
_cell_length_c [9.8286]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbErCuSe3]
_chemical_formula_sum '[Rb2 Er2 Cu2 Se6]'
_cell_volume [349.2926]
_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  0.2101  0.2500  0.2394  1.0
  Er  Er1  2  0.3254  0.7500  0.8562  1.0
  Cu  Cu2  2  0.0836  0.2500  0.6016  1.0
  Se  Se3  2  0.1158  0.2500  0.8594  1.0
  Se  Se4  2  0.1932  0.7500  0.5386  1.0
  Se  Se5  2  0.4697  0.7500  0.1636  1.0
]