data_[Rb1Sr2Ti1Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Sr  0.9500  2.0000  1.3200
  Ti  1.5400  1.4000  0.8517
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.7520]
_cell_length_b [9.3677]
_cell_length_c [6.9935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8126]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [RbSr2TiBr8]
_chemical_formula_sum '[Rb1 Sr2 Ti1 Br8]'
_cell_volume [442.3000]
_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
[
  Rb  Rb0  1  0.0000  0.5000  0.0000  1.0
  Sr  Sr1  2  0.5000  0.2436  0.5000  1.0
  Ti  Ti2  1  0.0000  0.0000  0.0000  1.0
  Br  Br3  4  0.2219  0.1937  0.1500  1.0
  Br  Br4  2  0.2365  0.0000  0.6909  1.0
  Br  Br5  2  0.2633  0.5000  0.6164  1.0
]