data_[Sr12As2P4Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.7349]
_cell_length_b [13.4021]
_cell_length_c [7.6462]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6775]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6AsP2Cl3]
_chemical_formula_sum '[Sr12 As2 P4 Cl6]'
_cell_volume [746.3463]
_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  0.2419  0.1695  0.2179  1.0
  Sr  Sr1  4  0.2338  0.5000  0.2186  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  P  P3  4  0.0000  0.3335  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1684  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]