data_[Sr12As4Pt2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.9247]
_cell_length_b [4.5244]
_cell_length_c [9.2171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6As2PtBr3]
_chemical_formula_sum '[Sr12 As4 Pt2 Br6]'
_cell_volume [802.0130]
_cell_formula_units_Z [2]
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  0.0060  0.0000  0.2266  1.0
  Sr  Sr1  4  0.1547  0.5000  0.1029  1.0
  Sr  Sr2  4  0.1751  0.5000  0.5616  1.0
  As  As3  4  0.1649  0.0000  0.3318  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1694  0.0000  0.8326  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]