data_[Ca2Nd1U1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Nd  1.1400  1.8500  1.2765
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.0728]
_cell_length_b [3.5744]
_cell_length_c [6.1512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6921]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2NdUN4]
_chemical_formula_sum '[Ca2 Nd1 U1 N4]'
_cell_volume [125.7133]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.5000  1
  Ca  Ca1  1  0.5000  0.5000  0.0000  1
  Nd  Nd2  1  0.0000  0.0000  0.0000  1
  U  U3  1  0.0000  0.5000  0.5000  1
  N  N4  2  0.2156  0.5000  0.2775  1
  N  N5  2  0.2210  0.0000  0.7222  1
]