data_[Sr4Ga4Br16Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1806]
_cell_length_b [10.3405]
_cell_length_c [10.5426]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0514]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrGaBr4Cl]
_chemical_formula_sum '[Sr4 Ga4 Br16 Cl4]'
_cell_volume [1165.2858]
_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  0.1958  0.0000  0.0556  1
  Ga  Ga1  4  0.1584  0.5000  0.2631  1
  Br  Br2  8  0.1761  0.3231  0.1178  1
  Br  Br3  4  0.0449  0.5000  0.7099  1
  Br  Br4  4  0.1887  0.0000  0.5376  1
  Cl  Cl5  4  0.0061  0.0000  0.1758  1
]