data_[Ca2Ho4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [6.9237]
_cell_length_b [10.1369]
_cell_length_c [4.2895]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1881]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaHo2F8]
_chemical_formula_sum '[Ca2 Ho4 F16]'
_cell_volume [291.8732]
_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
[
  Ca  Ca0  2  0.0131  0.0000  0.8676  1.0
  Ho  Ho1  4  0.4995  0.1800  0.5032  1.0
  F  F2  4  0.0081  0.2378  0.0116  1.0
  F  F3  4  0.1972  0.1360  0.6011  1.0
  F  F4  4  0.3111  0.3651  0.4479  1.0
  F  F5  2  0.1230  0.5000  0.7972  1.0
  F  F6  2  0.3659  0.0000  0.2079  1.0
]