data_[Ca4Ac4Te4O20]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.0366]
_cell_length_b [9.7701]
_cell_length_c [8.5882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaAcTeO5]
_chemical_formula_sum '[Ca4 Ac4 Te4 O20]'
_cell_volume [662.4388]
_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  0.3202  0.2500  1
  Ac  Ac1  4  0.0000  0.0000  0.0000  1
  Te  Te2  4  0.0000  0.3464  0.7500  1
  O  O3  8  0.0138  0.2679  0.5427  1
  O  O4  8  0.1738  0.4815  0.8473  1
  O  O5  4  0.0000  0.0964  0.2500  1
]