data_[Ca9Dy9Er3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Dy  1.2200  1.7500  1.1310
  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 [8.7303]
_cell_length_b [8.7303]
_cell_length_c [21.9857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ca3Dy3ErTe8]
_chemical_formula_sum '[Ca9 Dy9 Er3 Te24]'
_cell_volume [1451.2021]
_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  9  0.0000  0.5000  0.0000  1.0
  Dy  Dy1  9  0.0000  0.5000  0.5000  1.0
  Er  Er2  3  -0.0000  -0.0000  0.5000  1.0
  Te  Te3  18  0.0020  0.5010  0.7522  1.0
  Te  Te4  6  0.0000  0.0000  0.2483  1.0
]