data_[Ho12Mo4C12]
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 [Cmcm]
_cell_length_a [8.8209]
_cell_length_b [10.4697]
_cell_length_c [5.1200]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ho3MoC3]
_chemical_formula_sum '[Ho12 Mo4 C12]'
_cell_volume [472.8509]
_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  8  0.2177  0.3832  0.2500  1
  Ho  Ho1  4  0.0000  0.1101  0.2500  1
  Mo  Mo2  4  0.0000  0.3106  0.7500  1
  C  C3  8  0.2093  0.3798  0.7500  1
  C  C4  4  0.0000  0.1232  0.7500  1
]