data_[Ho12As2C4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2285]
_cell_length_b [3.8523]
_cell_length_c [7.9950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.9526]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho6AsC2Se3]
_chemical_formula_sum '[Ho12 As2 C4 Se6]'
_cell_volume [512.6565]
_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  0.0205  0.0000  0.2578  1
  Ho  Ho1  4  0.1702  0.5000  0.1244  1
  Ho  Ho2  4  0.1789  0.5000  0.5594  1
  As  As3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.1617  0.0000  0.8323  1
  C  C5  4  0.1702  0.0000  0.3383  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]