data_[Ac2Co2Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.4450]
_cell_length_b [4.4450]
_cell_length_c [10.0295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [AcCoGe3]
_chemical_formula_sum '[Ac2 Co2 Ge6]'
_cell_volume [198.1671]
_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
[
  Ac  Ac0  2  0.0000  0.0000  0.6175  1
  Co  Co1  2  0.0000  0.0000  0.9565  1
  Ge  Ge2  4  0.0000  0.5000  0.3635  1
  Ge  Ge3  2  0.0000  0.0000  0.1916  1
]