data_[Ca8Yb6Tl4Ge2N4]
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
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.8517]
_cell_length_b [24.3461]
_cell_length_c [4.7972]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca4Yb3Tl2GeN2]
_chemical_formula_sum '[Ca8 Yb6 Tl4 Ge2 N4]'
_cell_volume [566.6555]
_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  4  0.0000  0.3058  0.0000  1
  Ca  Ca1  4  0.0000  0.4083  0.5000  1
  Yb  Yb2  4  0.0000  0.0909  0.0000  1
  Yb  Yb3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  4  0.0000  0.2034  0.5000  1
  Ge  Ge5  2  0.0000  0.0000  0.5000  1
  N  N6  4  0.0000  0.3998  0.0000  1
]