data_[Na3Ca12Pr9Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0354]
_cell_length_b [9.0354]
_cell_length_c [22.2679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaCa4Pr3Te8]
_chemical_formula_sum '[Na3 Ca12 Pr9 Te24]'
_cell_volume [1574.3574]
_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
[
  Na  Na0  3  -0.0000  -0.0000  0.0000  1
  Ca  Ca1  9  0.0000  0.5000  0.5000  1
  Ca  Ca2  3  -0.0000  -0.0000  0.5000  1
  Pr  Pr3  9  0.0000  0.5000  0.0000  1
  Te  Te4  18  0.0002  0.5001  0.7513  1
  Te  Te5  6  0.0000  0.0000  0.2480  1
]