data_[Ca16Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Fdd2]
_cell_length_a [8.8159]
_cell_length_b [16.8976]
_cell_length_c [8.3974]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [43]
_chemical_formula_structural [Ca2Te3]
_chemical_formula_sum '[Ca16 Te24]'
_cell_volume [1250.9437]
_cell_formula_units_Z [8]
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  16  0.0152  0.3013  0.6371  1
  Te  Te1  16  0.0839  0.3908  0.0515  1
  Te  Te2  8  0.0000  0.0000  0.1229  1
]