data_[La15Tb4Er1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tb  1.1000  1.7500  0.9815
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2106]
_cell_length_b [5.2106]
_cell_length_c [26.0624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La15Tb4Er]
_chemical_formula_sum '[La15 Tb4 Er1]'
_cell_volume [707.6089]
_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  4  0.0000  0.5000  0.0998  1
  La  La1  4  0.0000  0.5000  0.2999  1
  Tb  Tb2  2  0.0000  0.0000  0.1998  1
  Tb  Tb3  2  0.0000  0.0000  0.4000  1
  La  La4  2  0.0000  0.5000  0.5000  1
  La  La5  2  0.5000  0.5000  0.2000  1
  La  La6  2  0.5000  0.5000  0.4000  1
  La  La7  1  0.5000  0.5000  0.0000  1
  Er  Er8  1  0.0000  0.0000  0.0000  1
]