data_[Ba1Mn2Zn1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.0436]
_cell_length_b [7.0478]
_cell_length_c [5.1859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaMn2ZnF8]
_chemical_formula_sum '[Ba1 Mn2 Zn1 F8]'
_cell_volume [184.1678]
_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  0.5000  0.0000  1.0
  Mn  Mn1  2  0.5000  0.2298  0.5000  1.0
  Zn  Zn2  1  0.0000  0.0000  0.0000  1.0
  F  F3  4  0.1839  0.2027  0.2254  1.0
  F  F4  2  0.3136  0.0000  0.7155  1.0
  F  F5  2  0.3849  0.5000  0.7013  1.0
]