data_[Ce3Ni1C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [3.7702]
_cell_length_b [3.9532]
_cell_length_c [8.1142]
_cell_angle_alpha [94.4016]
_cell_angle_beta [93.6381]
_cell_angle_gamma [93.0025]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce3NiC4]
_chemical_formula_sum '[Ce3 Ni1 C4]'
_cell_volume [120.1403]
_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
[
  Ce  Ce0  2  0.2866  0.7666  0.6515  1.0
  Ce  Ce1  1  0.5000  0.5000  0.0000  1.0
  Ni  Ni2  1  0.0000  0.0000  0.0000  1.0
  C  C3  2  0.0231  0.7439  0.1980  1.0
  C  C4  2  0.2107  0.7392  0.3498  1.0
]