data_[Ba2Mn2Be4F16]
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
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.3411]
_cell_length_b [5.4016]
_cell_length_c [7.9186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.9258]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaMnBe2F8]
_chemical_formula_sum '[Ba2 Mn2 Be4 F16]'
_cell_volume [355.9368]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1277  0.5000  0.7772  1.0
  F  F3  8  0.0217  0.2600  0.7905  1.0
  F  F4  4  0.1892  0.5000  0.5928  1.0
  F  F5  4  0.2417  0.0000  0.0780  1.0
]