data_[La4Sc4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [16.6062]
_cell_length_b [3.5782]
_cell_length_c [5.1228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5517]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaScZn]
_chemical_formula_sum '[La4 Sc4 Zn4]'
_cell_volume [304.3801]
_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
[
  La  La0  2  0.0165  0.5000  0.5962  1.0
  La  La1  2  0.1598  0.5000  0.1047  1.0
  Sc  Sc2  2  0.3268  0.5000  0.5894  1.0
  Sc  Sc3  2  0.4540  0.5000  0.0939  1.0
  Zn  Zn4  2  0.1904  0.0000  0.6070  1.0
  Zn  Zn5  2  0.3218  0.0000  0.0839  1.0
]