data_[Ba9Pr9Er3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.2006]
_cell_length_b [9.2006]
_cell_length_c [24.2560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba3Pr3ErTe8]
_chemical_formula_sum '[Ba9 Pr9 Er3 Te24]'
_cell_volume [1778.2190]
_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
[
  Ba  Ba0  9  0.0000  0.5000  0.0000  1.0
  Pr  Pr1  9  0.0000  0.5000  0.5000  1.0
  Er  Er2  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te3  18  0.0090  0.5045  0.2394  1.0
  Te  Te4  6  0.0000  0.0000  0.2427  1.0
]