data_[Ca10Ac2Te12]
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 [C2/m]
_cell_length_a [7.8972]
_cell_length_b [13.6765]
_cell_length_c [7.9000]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5AcTe6]
_chemical_formula_sum '[Ca10 Ac2 Te12]'
_cell_volume [804.2184]
_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  4  0.0000  0.1641  0.5000  1
  Ca  Ca1  4  0.0000  0.3326  0.0000  1
  Ca  Ca2  2  0.0000  0.5000  0.5000  1
  Ac  Ac3  2  0.0000  0.0000  0.0000  1
  Te  Te4  8  0.2435  0.3289  0.7444  1
  Te  Te5  4  0.2425  0.5000  0.2547  1
]