data_[Ac4Ga5Ge2]
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 [P2/m]
_cell_length_a [7.4967]
_cell_length_b [4.7546]
_cell_length_c [8.4803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.1366]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ac4Ga5Ge2]
_chemical_formula_sum '[Ac4 Ga5 Ge2]'
_cell_volume [301.8179]
_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  0.2242  0.5000  0.1396  1
  Ac  Ac1  2  0.2511  0.5000  0.6280  1
  Ga  Ga2  2  0.1184  0.0000  0.8866  1
  Ga  Ga3  2  0.4309  0.0000  0.3565  1
  Ga  Ga4  1  0.5000  0.0000  0.0000  1
  Ge  Ge5  2  0.0819  0.0000  0.3732  1
]