data_[Na8Er4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Er  1.2400  1.7500  1.0300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.2693]
_cell_length_b [13.8623]
_cell_length_c [13.5887]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Na2ErCl5]
_chemical_formula_sum '[Na8 Er4 Cl20]'
_cell_volume [992.5873]
_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
[
  Na  Na0  8  0.0000  0.1450  0.5562  1.0
  Er  Er1  4  0.0000  0.1795  0.2500  1.0
  Cl  Cl2  8  0.0000  0.0450  0.1212  1.0
  Cl  Cl3  8  0.0000  0.3010  0.0980  1.0
  Cl  Cl4  4  0.0000  0.2874  0.7500  1.0
]