data_[Ca4Yb4Nd6Tl6N4]
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
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.0206]
_cell_length_b [24.1909]
_cell_length_c [4.9070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ca2Yb2Nd3Tl3N2]
_chemical_formula_sum '[Ca4 Yb4 Nd6 Tl6 N4]'
_cell_volume [595.9647]
_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  0.2969  0.0000  1
  Yb  Yb1  4  0.0000  0.3958  0.5000  1
  Nd  Nd2  4  0.0000  0.1020  0.0000  1
  Nd  Nd3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  4  0.0000  0.2018  0.5000  1
  Tl  Tl5  2  0.0000  0.0000  0.5000  1
  N  N6  4  0.0000  0.3969  0.0000  1
]