data_[La1Nd8Er3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9414]
_cell_length_b [7.3702]
_cell_length_c [8.6814]
_cell_angle_alpha [89.9507]
_cell_angle_beta [76.4334]
_cell_angle_gamma [74.6289]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaNd8Er3]
_chemical_formula_sum '[La1 Nd8 Er3]'
_cell_volume [415.4090]
_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  0.7799  0.4315  0.4691  1
  Nd  Nd1  1  0.1135  0.5972  0.1399  1
  Nd  Nd2  1  0.2255  0.0659  0.5277  1
  Nd  Nd3  1  0.4414  0.7640  0.8072  1
  Nd  Nd4  1  0.4477  0.2621  0.8078  1
  Nd  Nd5  1  0.5556  0.7362  0.1922  1
  Nd  Nd6  1  0.5584  0.2302  0.1946  1
  Nd  Nd7  1  0.7854  0.9259  0.4738  1
  Nd  Nd8  1  0.8951  0.3978  0.8594  1
  Er  Er9  1  0.1127  0.0939  0.1357  1
  Er  Er10  1  0.2236  0.5673  0.5292  1
  Er  Er11  1  0.8949  0.8993  0.8598  1
]