data_[Na2Mg28Sb2]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [10.5041]
_cell_length_b [6.3658]
_cell_length_c [11.2162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [NaMg14Sb]
_chemical_formula_sum '[Na2 Mg28 Sb2]'
_cell_volume [749.9934]
_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  0.1670  1.0
  Mg  Mg1  8  0.2452  0.2494  0.5822  1.0
  Mg  Mg2  4  0.0000  0.2488  0.9169  1.0
  Mg  Mg3  4  0.2446  0.0000  0.3352  1.0
  Mg  Mg4  4  0.2497  0.0000  0.8350  1.0
  Mg  Mg5  4  0.5000  0.2476  0.4162  1.0
  Mg  Mg6  2  0.0000  0.0000  0.1664  1.0
  Mg  Mg7  2  0.0000  0.0000  0.6671  1.0
  Sb  Sb8  2  0.5000  0.0000  0.6642  1.0
]