data_[Rb2Er2Zn2Se6]
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
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.3508]
_cell_length_b [4.1402]
_cell_length_c [10.0519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0859]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbErZnSe3]
_chemical_formula_sum '[Rb2 Er2 Zn2 Se6]'
_cell_volume [365.4823]
_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  0.2128  0.2500  0.2387  1.0
  Er  Er1  2  0.3310  0.7500  0.8616  1.0
  Zn  Zn2  2  0.0835  0.2500  0.6082  1.0
  Se  Se3  2  0.1168  0.2500  0.8593  1.0
  Se  Se4  2  0.2013  0.7500  0.5412  1.0
  Se  Se5  2  0.4689  0.7500  0.1572  1.0
]