data_[Sr12As4P2Br6]
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
  P  2.1900  1.0000  0.5500
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8634]
_cell_length_b [13.6205]
_cell_length_c [7.9384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2798]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6As2PBr3]
_chemical_formula_sum '[Sr12 As4 P2 Br6]'
_cell_volume [802.5477]
_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  8  0.2339  0.8361  0.2100  1
  Sr  Sr1  4  0.2421  0.5000  0.2096  1
  As  As2  4  0.0000  0.3332  0.0000  1
  P  P3  2  0.0000  0.0000  0.0000  1
  Br  Br4  4  0.0000  0.1659  0.5000  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]