data_[Sr4B4Cl4F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1194]
_cell_length_b [7.3045]
_cell_length_c [6.8809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrBClF4]
_chemical_formula_sum '[Sr4 B4 Cl4 F16]'
_cell_volume [492.4706]
_cell_formula_units_Z [4]
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  4  0.2163  0.0000  0.1589  1
  B  B1  4  0.1233  0.5000  0.2553  1
  Cl  Cl2  4  0.0423  0.0000  0.7648  1
  F  F3  8  0.1624  0.3428  0.1575  1
  F  F4  4  0.0184  0.5000  0.7673  1
  F  F5  4  0.1918  0.5000  0.4601  1
]