data_[Rb8Sr4Ga4Br20]
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
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7016]
_cell_length_b [19.8673]
_cell_length_c [15.4845]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2SrGaBr5]
_chemical_formula_sum '[Rb8 Sr4 Ga4 Br20]'
_cell_volume [1446.3888]
_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
[
  Rb  Rb0  4  0.0000  0.0860  0.6567  1.0
  Rb  Rb1  4  0.0000  0.1311  0.3004  1.0
  Sr  Sr2  4  0.0000  0.2242  0.0267  1.0
  Ga  Ga3  4  0.0000  0.4564  0.4507  1.0
  Br  Br4  4  0.0000  0.0759  0.0688  1.0
  Br  Br5  4  0.0000  0.2619  0.6600  1.0
  Br  Br6  4  0.0000  0.3017  0.4003  1.0
  Br  Br7  4  0.0000  0.3743  0.9892  1.0
  Br  Br8  4  0.0000  0.4983  0.7711  1.0
]