data_[Na2Mg28Zr2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mg  1.3100  1.5000  0.8600
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.2453]
_cell_length_b [6.5300]
_cell_length_c [11.1822]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaMg14Zr]
_chemical_formula_sum '[Na2 Mg28 Zr2]'
_cell_volume [748.1004]
_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  2  0.5000  0.0000  0.3345  1.0
  Mg  Mg1  8  0.2493  0.2451  0.9162  1.0
  Mg  Mg2  4  0.0000  0.2496  0.5836  1.0
  Mg  Mg3  4  0.2495  0.0000  0.1653  1.0
  Mg  Mg4  4  0.2515  0.0000  0.6691  1.0
  Mg  Mg5  4  0.5000  0.2450  0.5810  1.0
  Mg  Mg6  2  0.0000  0.0000  0.3335  1.0
  Mg  Mg7  2  0.0000  0.0000  0.8332  1.0
  Zr  Zr8  2  0.5000  0.0000  0.8359  1.0
]