data_[Ho4C2F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  C  2.5500  0.7000  0.3000
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.2766]
_cell_length_b [3.5991]
_cell_length_c [6.3168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ho2CF]
_chemical_formula_sum '[Ho4 C2 F2]'
_cell_volume [142.6952]
_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  2  0.2043  0.0000  0.3324  1
  Ho  Ho1  2  0.2180  0.5000  0.8368  1
  C  C2  1  0.0000  0.0000  0.0000  1
  C  C3  1  0.0000  0.5000  0.5000  1
  F  F4  2  0.4071  0.5000  0.1764  1
]