data_[Ac1Nb1Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Nb  1.6000  1.4500  0.8200
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.5897]
_cell_length_b [3.5897]
_cell_length_c [6.8484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [AcNbGe2]
_chemical_formula_sum '[Ac1 Nb1 Ge2]'
_cell_volume [88.2466]
_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  1  0.5000  0.5000  0.5000  1
  Nb  Nb1  1  0.5000  0.5000  0.0000  1
  Ge  Ge2  2  0.0000  0.0000  0.1880  1
]