data_[Ca4Ac4Ge4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1541]
_cell_length_b [4.1056]
_cell_length_c [7.2834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAcGeN3]
_chemical_formula_sum '[Ca4 Ac4 Ge4 N12]'
_cell_volume [376.7216]
_cell_formula_units_Z [4]
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  4  0.1475  0.5000  0.5698  1
  Ac  Ac1  4  0.1499  0.5000  0.0838  1
  Ge  Ge2  4  0.0009  0.0000  0.2701  1
  N  N3  4  0.0008  0.5000  0.7405  1
  N  N4  4  0.1508  0.0000  0.8182  1
  N  N5  4  0.1519  0.0000  0.3312  1
]