data_[Ca2Yb2Ga2Ge2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Yb  1.1000  1.7500  1.0840
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6166]
_cell_length_b [3.8949]
_cell_length_c [8.0562]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6168]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaYbGaGeN]
_chemical_formula_sum '[Ca2 Yb2 Ga2 Ge2 N2]'
_cell_volume [197.8805]
_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  0.1962  0.2500  0.9653  1
  Yb  Yb1  2  0.1797  0.2500  0.3719  1
  Ga  Ga2  2  0.4665  0.7500  0.2548  1
  Ge  Ge3  2  0.3067  0.7500  0.6914  1
  N  N4  2  0.1661  0.7500  0.1741  1
]