data_[Sr3Mg3In6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.9108]
_cell_length_b [7.9108]
_cell_length_c [19.5581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [SrMg(InBr3)2]
_chemical_formula_sum '[Sr3 Mg3 In6 Br18]'
_cell_volume [1059.9816]
_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  0.1810  1.0
  Mg  Mg1  3  0.0000  0.0000  0.6804  1.0
  In  In2  3  0.0000  0.0000  0.4679  1.0
  In  In3  3  0.0000  0.0000  0.9643  1.0
  Br  Br4  9  0.0143  0.4220  0.4204  1.0
  Br  Br5  9  0.0964  0.7302  0.2612  1.0
]