data_[La4Zn4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1167]
_cell_length_b [4.0855]
_cell_length_c [7.1782]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.0486]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaZnNi]
_chemical_formula_sum '[La4 Zn4 Ni4]'
_cell_volume [245.8254]
_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  4  0.0621  0.5000  0.8064  1.0
  Zn  Zn1  4  0.1964  0.0000  0.5830  1.0
  Ni  Ni2  4  0.1410  0.0000  0.1793  1.0
]