data_[Ta4Zn4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9118]
_cell_length_b [5.4371]
_cell_length_c [7.0029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7670]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TaZnSn]
_chemical_formula_sum '[Ta4 Zn4 Sn4]'
_cell_volume [224.6052]
_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
[
  Ta  Ta0  4  0.2216  0.1082  0.9967  1
  Zn  Zn1  4  0.0673  0.5763  0.8323  1
  Sn  Sn2  4  0.3953  0.6298  0.1636  1
]