data_[Na1Y1Mg6O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.4095]
_cell_length_b [4.4095]
_cell_length_c [8.8142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaYMg6O8]
_chemical_formula_sum '[Na1 Y1 Mg6 O8]'
_cell_volume [171.3823]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1.0
  Y  Y1  1  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.0000  0.5000  0.2624  1.0
  Mg  Mg3  1  0.0000  0.0000  0.5000  1.0
  Mg  Mg4  1  0.5000  0.5000  0.5000  1.0
  O  O5  2  0.0000  0.0000  0.2609  1.0
  O  O6  2  0.0000  0.5000  0.0000  1.0
  O  O7  2  0.0000  0.5000  0.5000  1.0
  O  O8  2  0.5000  0.5000  0.2681  1.0
]