data_[Ba1Ho2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ho  1.2300  1.7500  1.0410
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1980]
_cell_length_b [5.6506]
_cell_length_c [6.6606]
_cell_angle_alpha [65.9449]
_cell_angle_beta [70.5317]
_cell_angle_gamma [82.6090]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [BaHo2F8]
_chemical_formula_sum '[Ba1 Ho2 F8]'
_cell_volume [168.4255]
_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
[
  Ba  Ba0  1  0.9324  0.0562  0.9344  1.0
  Ho  Ho1  1  0.3569  0.3647  0.2762  1.0
  Ho  Ho2  1  0.5483  0.6781  0.6073  1.0
  F  F3  1  0.2002  0.9600  0.5501  1.0
  F  F4  1  0.2549  0.6624  0.9611  1.0
  F  F5  1  0.3464  0.1562  0.0719  1.0
  F  F6  1  0.3798  0.3318  0.6346  1.0
  F  F7  1  0.5728  0.6909  0.2554  1.0
  F  F8  1  0.7113  0.0772  0.3563  1.0
  F  F9  1  0.7427  0.5342  0.8867  1.0
  F  F10  1  0.9542  0.4884  0.4661  1.0
]