data_[Rb4Er4Fe4Se12]
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
  Fe  1.8300  1.4000  0.8525
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.3353]
_cell_length_b [4.2078]
_cell_length_c [9.0160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1762]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbErFeSe3]
_chemical_formula_sum '[Rb4 Er4 Fe4 Se12]'
_cell_volume [642.8713]
_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  0.1499  0.0000  0.5659  1
  Er  Er1  4  0.1661  0.0000  0.0748  1
  Fe  Fe2  4  0.0048  0.5000  0.2274  1
  Se  Se3  4  0.1534  0.5000  0.2749  1
  Se  Se4  4  0.1641  0.5000  0.8611  1
  Se  Se5  2  0.0000  0.0000  0.0000  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]