data_[Ca4Al2Ge2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2_1/m]
_cell_length_a [6.6777]
_cell_length_b [4.2396]
_cell_length_c [8.5289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca2AlGeP]
_chemical_formula_sum '[Ca4 Al2 Ge2 P2]'
_cell_volume [240.6448]
_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
[
  Ca  Ca0  2  0.1450  0.7500  0.3534  1
  Ca  Ca1  2  0.2372  0.7500  0.9154  1
  Al  Al2  2  0.4770  0.2500  0.3625  1
  Ge  Ge3  2  0.3006  0.2500  0.6274  1
  P  P4  2  0.2271  0.2500  0.1397  1
]