data_[La3Zn4Sn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5303]
_cell_length_b [4.5755]
_cell_length_c [13.8117]
_cell_angle_alpha [99.3861]
_cell_angle_beta [99.0250]
_cell_angle_gamma [90.0177]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [La3(ZnSn)4]
_chemical_formula_sum '[La3 Zn4 Sn4]'
_cell_volume [278.8676]
_cell_formula_units_Z [1]
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
[
  La  La0  2  0.1657  0.6458  0.2994  1.0
  La  La1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.2746  0.2579  0.5013  1.0
  Zn  Zn3  2  0.4759  0.0928  0.1891  1.0
  Sn  Sn4  2  0.2832  0.8166  0.6173  1.0
  Sn  Sn5  2  0.3932  0.4490  0.8944  1.0
]