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 [P2_1/c]
_cell_length_a [6.1361]
_cell_length_b [6.2296]
_cell_length_c [8.8003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaGaSn]
_chemical_formula_sum '[Na4 Ga4 Sn4]'
_cell_volume [305.7260]
_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  4  0.1331  0.1302  0.7212  1.0
  Ga  Ga1  4  0.2286  0.5499  0.5703  1.0
  Sn  Sn2  4  0.4425  0.6993  0.9008  1.0
]