data_[Ho12Si4C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Si  1.9000  1.1000  0.5400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1875]
_cell_length_b [7.6333]
_cell_length_c [11.0292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.0973]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ho6Si2C]
_chemical_formula_sum '[Ho12 Si4 C2]'
_cell_volume [436.3955]
_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  4  0.1164  0.1631  0.4438  1.0
  Ho  Ho1  4  0.3012  0.7027  0.4462  1.0
  Ho  Ho2  4  0.3622  0.0337  0.2494  1.0
  Si  Si3  4  0.1927  0.1128  0.7560  1.0
  C  C4  2  0.5000  0.0000  0.5000  1.0
]