data_[Sr12Bi2P4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Bi  2.0200  1.6000  1.0350
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.8700]
_cell_length_b [4.6594]
_cell_length_c [9.6276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.2637]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6BiP2I3]
_chemical_formula_sum '[Sr12 Bi2 P4 I6]'
_cell_volume [903.1764]
_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  0.0186  0.0000  0.2422  1.0
  Sr  Sr1  4  0.1631  0.5000  0.1282  1.0
  Sr  Sr2  4  0.1810  0.5000  0.5534  1.0
  Bi  Bi3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1692  0.0000  0.3406  1.0
  I  I5  4  0.1666  0.0000  0.8315  1.0
  I  I6  2  0.0000  0.5000  0.5000  1.0
]