data_[Ca4Ac16Tc4]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.9471]
_cell_length_b [8.1093]
_cell_length_c [6.7505]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAc4Tc]
_chemical_formula_sum '[Ca4 Ac16 Tc4]'
_cell_volume [980.8903]
_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  0.1956  0.0000  0.1812  1
  Ac  Ac1  8  0.1126  0.2428  0.6133  1
  Ac  Ac2  4  0.0000  0.2494  0.0000  1
  Ac  Ac3  4  0.1809  0.5000  0.2056  1
  Tc  Tc4  4  0.0273  0.5000  0.3535  1
]