data_[Na2Ga2Sn2]
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/m]
_cell_length_a [3.3920]
_cell_length_b [5.5271]
_cell_length_c [8.0218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaGaSn]
_chemical_formula_sum '[Na2 Ga2 Sn2]'
_cell_volume [147.5751]
_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  0.4198  0.2500  0.3833  1.0
  Ga  Ga1  2  0.2241  0.7500  0.9383  1.0
  Sn  Sn2  2  0.1438  0.2500  0.7686  1.0
]