data_[Ca8Te8]
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 [Pm]
_cell_length_a [19.7218]
_cell_length_b [6.1164]
_cell_length_c [19.7218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CaTe]
_chemical_formula_sum '[Ca8 Te8]'
_cell_volume [2060.2481]
_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  1  0.0058  0.5000  0.7219  1
  Ca  Ca1  1  0.0755  0.0000  0.4167  1
  Ca  Ca2  1  0.1145  0.0000  0.6526  1
  Ca  Ca3  1  0.2132  0.5000  0.5778  1
  Ca  Ca4  1  0.8311  0.0000  0.3077  1
  Ca  Ca5  1  0.8770  0.0000  0.5857  1
  Ca  Ca6  1  0.9285  0.5000  0.2541  1
  Ca  Ca7  1  0.9538  0.5000  0.4832  1
  Te  Te8  1  0.0221  0.0000  0.7496  1
  Te  Te9  1  0.0788  0.5000  0.4109  1
  Te  Te10  1  0.1203  0.5000  0.6618  1
  Te  Te11  1  0.2306  0.0000  0.5841  1
  Te  Te12  1  0.8050  0.5000  0.3057  1
  Te  Te13  1  0.8483  0.5000  0.5678  1
  Te  Te14  1  0.9372  0.0000  0.2354  1
  Te  Te15  1  0.9584  0.0000  0.4848  1
]