data_[Ho4Mo4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Mo  2.1600  1.4500  0.7750
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6911]
_cell_length_b [3.3789]
_cell_length_c [10.7752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [HoMoC2]
_chemical_formula_sum '[Ho4 Mo4 C8]'
_cell_volume [207.2038]
_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
[
  Ho  Ho0  4  0.0853  0.2500  0.8626  1.0
  Mo  Mo1  4  0.0978  0.7500  0.6094  1.0
  C  C2  4  0.1592  0.2500  0.2470  1.0
  C  C3  4  0.2255  0.2500  0.5147  1.0
]