data_[La2Zn3Ni1]
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 [Pmm2]
_cell_length_a [3.7498]
_cell_length_b [4.5070]
_cell_length_c [7.7349]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [La2Zn3Ni]
_chemical_formula_sum '[La2 Zn3 Ni1]'
_cell_volume [130.7233]
_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  1  0.0000  0.0000  0.4843  1.0
  La  La1  1  0.0000  0.5000  0.0253  1.0
  Zn  Zn2  1  0.5000  0.0000  0.1690  1.0
  Zn  Zn3  1  0.5000  0.0000  0.8293  1.0
  Zn  Zn4  1  0.5000  0.5000  0.6638  1.0
  Ni  Ni5  1  0.5000  0.5000  0.3283  1.0
]