data_[Sr1In1B1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6078]
_cell_length_b [5.1902]
_cell_length_c [7.4683]
_cell_angle_alpha [84.5302]
_cell_angle_beta [86.2541]
_cell_angle_gamma [71.9518]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrInBF6]
_chemical_formula_sum '[Sr1 In1 B1 F6]'
_cell_volume [168.9224]
_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
[
  Sr  Sr0  1  0.2725  0.3588  0.4147  1.0
  In  In1  1  0.9014  0.0423  0.0356  1.0
  B  B2  1  0.5682  0.7495  0.6175  1.0
  F  F3  1  0.1618  0.6252  0.1440  1.0
  F  F4  1  0.4231  0.9817  0.7107  1.0
  F  F5  1  0.4662  0.8102  0.4343  1.0
  F  F6  1  0.4908  0.5195  0.6906  1.0
  F  F7  1  0.8280  0.2205  0.3391  1.0
  F  F8  1  0.8883  0.6924  0.6137  1.0
]