data_[Ba1Na2Mo1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5642]
_cell_length_b [5.6351]
_cell_length_c [7.8396]
_cell_angle_alpha [85.8525]
_cell_angle_beta [87.4343]
_cell_angle_gamma [87.8458]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaNa2MoF8]
_chemical_formula_sum '[Ba1 Na2 Mo1 F8]'
_cell_volume [200.7834]
_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  0.0000  0.0000  0.5000  1.0
  Na  Na1  2  0.4678  0.4695  0.7362  1.0
  Mo  Mo2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.1273  0.7772  0.2070  1.0
  F  F4  2  0.1613  0.7940  0.8178  1.0
  F  F5  2  0.3358  0.2134  0.9828  1.0
  F  F6  2  0.4584  0.2591  0.4930  1.0
]