data_[La9Er3Zn24]
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
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.6009]
_cell_length_b [5.6009]
_cell_length_c [27.3844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La3ErZn8]
_chemical_formula_sum '[La9 Er3 Zn24]'
_cell_volume [743.9488]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0013  1.0
  La  La1  3  0.0000  0.0000  0.3737  1.0
  La  La2  3  0.0000  0.0000  0.4989  1.0
  Er  Er3  3  0.0000  0.0000  0.8763  1.0
  Zn  Zn4  9  0.0040  0.5020  0.4392  1.0
  Zn  Zn5  9  0.1679  0.8321  0.2690  1.0
  Zn  Zn6  3  0.0000  0.0000  0.1874  1.0
  Zn  Zn7  3  0.0000  0.0000  0.6878  1.0
]