data_[Ca2Ac4Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5609]
_cell_length_b [4.5609]
_cell_length_c [24.1380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [CaAc2Te3]
_chemical_formula_sum '[Ca2 Ac4 Te6]'
_cell_volume [434.8393]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.2500  1
  Ac  Ac1  4  0.3333  0.6667  0.9166  1
  Te  Te2  4  0.3333  0.6667  0.1707  1
  Te  Te3  2  0.0000  0.0000  0.0000  1
]