data_[Na4Ga4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ga  1.8100  1.3000  0.7600
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.4313]
_cell_length_b [6.5285]
_cell_length_c [8.5429]
_cell_angle_alpha [108.9119]
_cell_angle_beta [107.0439]
_cell_angle_gamma [97.9663]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaGaSn]
_chemical_formula_sum '[Na4 Ga4 Sn4]'
_cell_volume [313.4165]
_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  1  0.2940  0.3923  0.5491  1.0
  Na  Na1  1  0.6721  0.9091  0.8298  1.0
  Na  Na2  1  0.7542  0.5990  0.4279  1.0
  Na  Na3  1  0.9694  0.4329  0.0840  1.0
  Ga  Ga4  1  0.0279  0.6393  0.8120  1.0
  Ga  Ga5  1  0.1154  0.9623  0.1508  1.0
  Ga  Ga6  1  0.7951  0.0800  0.2642  1.0
  Ga  Ga7  1  0.8063  0.2102  0.5977  1.0
  Sn  Sn8  1  0.1412  0.9978  0.7070  1.0
  Sn  Sn9  1  0.3813  0.8759  0.4460  1.0
  Sn  Sn10  1  0.4307  0.2250  0.0751  1.0
  Sn  Sn11  1  0.4493  0.6773  0.0564  1.0
]