data_[Na4Y4C4]
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 [C2/m]
_cell_length_a [7.5541]
_cell_length_b [3.5926]
_cell_length_c [11.4046]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaYC]
_chemical_formula_sum '[Na4 Y4 C4]'
_cell_volume [308.1039]
_cell_formula_units_Z [4]
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  4  0.1291  0.0000  0.3721  1.0
  Y  Y1  4  0.1349  0.5000  0.8866  1.0
  C  C2  4  0.0876  0.0000  0.0315  1.0
]