data_[La3Zn1C2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Zn  1.6500  1.3500  0.8800
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.4073]
_cell_length_b [5.4073]
_cell_length_c [6.5555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [La3Zn(CN3)2]
_chemical_formula_sum '[La3 Zn1 C2 N6]'
_cell_volume [165.9980]
_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
[
  La  La0  2  0.3333  0.6667  0.6601  1
  La  La1  1  0.0000  0.0000  0.0000  1
  Zn  Zn2  1  0.0000  0.0000  0.5000  1
  C  C3  2  0.3333  0.6667  0.2668  1
  N  N4  6  0.1860  0.3720  0.2754  1
]