data_[Sr2Mg2Be4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  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 [8.1046]
_cell_length_b [5.3138]
_cell_length_c [7.2890]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMgBe2F8]
_chemical_formula_sum '[Sr2 Mg2 Be4 F16]'
_cell_volume [313.5783]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.5000  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.1346  0.5000  0.7785  1.0
  F  F3  8  0.0255  0.2541  0.7919  1.0
  F  F4  4  0.2022  0.5000  0.5806  1.0
  F  F5  4  0.2342  0.0000  0.0659  1.0
]