data_[Ba1Zn1Cr2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6254]
_cell_length_b [5.1280]
_cell_length_c [7.8749]
_cell_angle_alpha [95.7447]
_cell_angle_beta [90.4611]
_cell_angle_gamma [93.8722]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaZnCr2F8]
_chemical_formula_sum '[Ba1 Zn1 Cr2 F8]'
_cell_volume [185.4023]
_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
  Zn  Zn1  1  0.0000  0.0000  0.0000  1.0
  Cr  Cr2  2  0.4824  0.4974  0.7929  1.0
  F  F3  2  0.1499  0.2266  0.8138  1.0
  F  F4  2  0.1770  0.2382  0.2213  1.0
  F  F5  2  0.3286  0.7393  0.9847  1.0
  F  F6  2  0.4362  0.7220  0.4239  1.0
]