data_[Ba1Mg1Zn2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6191]
_cell_length_b [4.9950]
_cell_length_c [7.8290]
_cell_angle_alpha [94.8448]
_cell_angle_beta [91.5367]
_cell_angle_gamma [94.1504]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [BaMgZn2F8]
_chemical_formula_sum '[Ba1 Mg1 Zn2 F8]'
_cell_volume [179.4185]
_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
  Mg  Mg1  1  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  2  0.4733  0.5417  0.1887  1.0
  F  F3  2  0.1548  0.2199  0.8178  1.0
  F  F4  2  0.1879  0.2317  0.2083  1.0
  F  F5  2  0.3211  0.7256  0.9855  1.0
  F  F6  2  0.4363  0.7224  0.4172  1.0
]