data_[Na6Mg6H6Se6]
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
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1118]
_cell_length_b [4.1118]
_cell_length_c [34.5325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaMgHSe]
_chemical_formula_sum '[Na6 Mg6 H6 Se6]'
_cell_volume [505.6107]
_cell_formula_units_Z [6]
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  3  -0.0000  -0.0000  0.5000  1.0
  Na  Na1  3  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  6  0.0000  0.0000  0.2469  1.0
  H  H3  6  0.0000  0.0000  0.1942  1.0
  Se  Se4  6  0.0000  0.0000  0.3897  1.0
]