data_[Sr3Ga6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [R3]
_cell_length_a [7.3717]
_cell_length_b [7.3717]
_cell_length_c [24.3821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Sr(GaBr3)2]
_chemical_formula_sum '[Sr3 Ga6 Br18]'
_cell_volume [1147.4467]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.6666  1.0
  Ga  Ga1  3  0.0000  0.0000  0.2840  1.0
  Ga  Ga2  3  0.0000  0.0000  0.3830  1.0
  Br  Br3  9  0.0047  0.6145  0.0865  1.0
  Br  Br4  9  0.0056  0.3887  0.9137  1.0
]