data_[Na6Er2F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8098]
_cell_length_b [5.9530]
_cell_length_c [10.1431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.4468]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3ErF6]
_chemical_formula_sum '[Na6 Er2 F12]'
_cell_volume [292.7146]
_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
[
  Na  Na0  4  0.2823  0.0498  0.7697  1
  Na  Na1  2  0.5000  0.0000  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  F  F3  4  0.0986  0.0866  0.2334  1
  F  F4  4  0.2659  0.7059  0.0913  1
  F  F5  4  0.3623  0.1785  0.0507  1
]