data_[Na2Y2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.6920]
_cell_length_b [3.8602]
_cell_length_c [6.7778]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.5122]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NaYC]
_chemical_formula_sum '[Na2 Y2 C2]'
_cell_volume [137.5730]
_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
[
  Na  Na0  1  0.4561  0.5000  0.1661  1
  Na  Na1  1  0.7209  0.0000  0.5343  1
  Y  Y2  1  0.2577  0.5000  0.6555  1
  Y  Y3  1  0.9053  0.0000  0.0319  1
  C  C4  1  0.2127  0.0000  0.8743  1
  C  C5  1  0.4600  0.0000  0.8986  1
]