data_[Na6Er3Ga3Cl18]
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
  Ga  1.8100  1.3000  0.7600
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.1068]
_cell_length_b [7.1068]
_cell_length_c [19.4090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Na2ErGaCl6]
_chemical_formula_sum '[Na6 Er3 Ga3 Cl18]'
_cell_volume [848.9497]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4784  1
  Na  Na1  3  0.0000  0.0000  0.9912  1
  Er  Er2  3  0.0000  0.0000  0.6755  1
  Ga  Ga3  3  0.0000  0.0000  0.1903  1
  Cl  Cl4  9  0.0102  0.3607  0.4123  1
  Cl  Cl5  9  0.0166  0.7198  0.5888  1
]