data_[Ca9Pr3Zn24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.5347]
_cell_length_b [5.5347]
_cell_length_c [27.5297]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3PrZn8]
_chemical_formula_sum '[Ca9 Pr3 Zn24]'
_cell_volume [730.3402]
_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
[
  Ca  Ca0  3  0.0000  0.0000  0.5007  1.0
  Ca  Ca1  3  0.0000  0.0000  0.6257  1.0
  Ca  Ca2  3  0.0000  0.0000  0.9992  1.0
  Pr  Pr3  3  0.0000  0.0000  0.1241  1.0
  Zn  Zn4  9  0.0002  0.5001  0.5627  1.0
  Zn  Zn5  9  0.1681  0.3361  0.3959  1.0
  Zn  Zn6  3  0.0000  0.0000  0.3121  1.0
  Zn  Zn7  3  0.0000  0.0000  0.8123  1.0
]