data_[Na4Cu4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5930]
_cell_length_b [6.3519]
_cell_length_c [8.3222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.5869]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [NaCuSn]
_chemical_formula_sum '[Na4 Cu4 Sn4]'
_cell_volume [283.4239]
_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  0.2035  0.6136  0.4208  1
  Cu  Cu1  4  0.3757  0.0984  0.3412  1
  Sn  Sn2  4  0.2331  0.1211  0.5747  1
]