data_[La4Er4Ni4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.6784]
_cell_length_b [6.8912]
_cell_length_c [6.9356]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.7892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [LaErNi]
_chemical_formula_sum '[La4 Er4 Ni4]'
_cell_volume [316.2487]
_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  0.3409  0.1672  0.6455  1.0
  Er  Er1  4  0.1695  0.6818  0.5077  1.0
  Ni  Ni2  4  0.0657  0.0360  0.3252  1.0
]