data_[Na20Er4Mo16O64]
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
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [11.5371]
_cell_length_b [11.5371]
_cell_length_c [11.5459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [Na5Er(MoO4)4]
_chemical_formula_sum '[Na20 Er4 Mo16 O64]'
_cell_volume [1536.8157]
_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  16  0.1199  0.2045  0.7813  1
  Na  Na1  4  0.0000  0.0000  0.5000  1
  Er  Er2  4  0.0000  0.0000  0.0000  1
  Mo  Mo3  16  0.0928  0.1813  0.2616  1
  O  O4  16  0.0308  0.3522  0.8999  1
  O  O5  16  0.0613  0.3902  0.4117  1
  O  O6  16  0.0827  0.3221  0.1885  1
  O  O7  16  0.1766  0.7840  0.6465  1
]