data_[Ni2H2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.1441]
_cell_length_b [2.8073]
_cell_length_c [4.3295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.7513]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NiHC]
_chemical_formula_sum '[Ni2 H2 C2]'
_cell_volume [58.0720]
_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
[
  Ni  Ni0  2  0.4419  0.0000  0.5287  1
  H  H1  2  0.1116  0.5000  0.0557  1
  C  C2  2  0.2060  0.5000  0.3360  1
]