data_[Ac2Ga7Ge1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.7412]
_cell_length_b [4.7412]
_cell_length_c [9.8941]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ac2Ga7Ge]
_chemical_formula_sum '[Ac2 Ga7 Ge1]'
_cell_volume [222.4054]
_cell_formula_units_Z [1]
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  0.5000  0.2495  1
  Ga  Ga1  2  0.0000  0.5000  0.6234  1
  Ga  Ga2  2  0.0000  0.5000  0.8798  1
  Ga  Ga3  1  0.0000  0.0000  0.0000  1
  Ga  Ga4  1  0.0000  0.0000  0.5000  1
  Ga  Ga5  1  0.5000  0.5000  0.5000  1
  Ge  Ge6  1  0.5000  0.5000  0.0000  1
]