data_[Ho2Fe2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Fe  1.8300  1.4000  0.8525
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4343]
_cell_length_b [3.2391]
_cell_length_c [5.4672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8728]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoFeC]
_chemical_formula_sum '[Ho2 Fe2 C2]'
_cell_volume [91.0608]
_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
[
  Ho  Ho0  2  0.2085  0.7500  0.3312  1
  Fe  Fe1  2  0.3587  0.2500  0.8542  1
  C  C2  2  0.4991  0.7500  0.7756  1
]