data_[Y3Ni1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ni  1.9100  1.3500  0.7400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.7284]
_cell_length_b [3.9665]
_cell_length_c [8.0336]
_cell_angle_alpha [96.4426]
_cell_angle_beta [91.9524]
_cell_angle_gamma [94.1927]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Y3NiC4]
_chemical_formula_sum '[Y3 Ni1 C4]'
_cell_volume [117.6334]
_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
[
  Y  Y0  2  0.2808  0.7716  0.6442  1.0
  Y  Y1  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  C  C3  2  0.0966  0.8196  0.1950  1.0
  C  C4  2  0.2252  0.7250  0.3416  1.0
]