data_[Ho3Hf1Sn2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Hf  1.3000  1.5500  0.8500
  Sn  1.9600  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.5157]
_cell_length_b [3.5157]
_cell_length_c [15.5047]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Ho3Hf(SnC)2]
_chemical_formula_sum '[Ho3 Hf1 Sn2 C2]'
_cell_volume [165.9632]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.4095  1
  Ho  Ho1  1  0.6667  0.3333  0.5828  1
  Ho  Ho2  1  0.6667  0.3333  0.9203  1
  Hf  Hf3  1  0.3333  0.6667  0.0847  1
  Sn  Sn4  1  0.3333  0.6667  0.7534  1
  Sn  Sn5  1  0.6667  0.3333  0.2394  1
  C  C6  1  0.0000  0.0000  0.0140  1
  C  C7  1  0.0000  0.0000  0.4959  1
]