data_[Ca4Y24Te32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [12.3381]
_cell_length_b [12.3381]
_cell_length_c [12.3381]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Ca(Y3Te4)2]
_chemical_formula_sum '[Ca4 Y24 Te32]'
_cell_volume [1878.2074]
_cell_formula_units_Z [4]
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  4  0.0000  0.0000  0.0000  1
  Y  Y1  24  0.0000  0.2500  0.2500  1
  Te  Te2  24  0.0000  0.0000  0.2568  1
  Te  Te3  8  0.2500  0.2500  0.2500  1
]