data_[Al2Ge2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.9510]
_cell_length_b [3.9510]
_cell_length_c [9.7036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [AlGeP]
_chemical_formula_sum '[Al2 Ge2 P2]'
_cell_volume [131.1844]
_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
[
  Al  Al0  1  0.0000  0.0000  0.1537  1.0
  Al  Al1  1  0.3333  0.6667  0.8282  1.0
  Ge  Ge2  1  0.3333  0.6667  0.5691  1.0
  Ge  Ge3  1  0.6667  0.3333  0.4789  1.0
  P  P4  1  0.0000  0.0000  0.9090  1.0
  P  P5  1  0.6667  0.3333  0.2329  1.0
]