data_[La2Y2Ni2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4281]
_cell_length_b [4.6746]
_cell_length_c [6.6203]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaYNi]
_chemical_formula_sum '[La2 Y2 Ni2]'
_cell_volume [163.4506]
_cell_formula_units_Z [2]
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  0.4165  0.7500  0.7131  1.0
  Y  Y1  2  0.0504  0.7500  0.1988  1.0
  Ni  Ni2  2  0.1308  0.2500  0.4420  1.0
]