data_[Sr8H4Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.6959]
_cell_length_b [4.4079]
_cell_length_c [7.7492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2HBr2]
_chemical_formula_sum '[Sr8 H4 Br8]'
_cell_volume [703.8149]
_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  0.1598  0.0000  0.8716  1
  Sr  Sr1  4  0.1719  0.5000  0.4005  1
  H  H2  4  0.2078  0.0000  0.5697  1
  Br  Br3  4  0.0806  0.5000  0.6867  1
  Br  Br4  4  0.0918  0.0000  0.2002  1
]