data_[Ce3Dy6Zr3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Dy  1.2200  1.7500  1.1310
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.4079]
_cell_length_b [3.4079]
_cell_length_c [33.9041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CeDy2Zr]
_chemical_formula_sum '[Ce3 Dy6 Zr3]'
_cell_volume [341.0111]
_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
[
  Ce  Ce0  3  0.0000  0.0000  0.5004  1
  Dy  Dy1  3  0.0000  0.0000  0.0783  1
  Dy  Dy2  3  0.0000  0.0000  0.2547  1
  Zr  Zr3  3  0.0000  0.0000  0.6666  1
]