data_[Sr12P4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.9150]
_cell_length_b [12.5284]
_cell_length_c [5.3640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr3PO6]
_chemical_formula_sum '[Sr12 P4 O24]'
_cell_volume [666.3078]
_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  8  0.1958  0.1120  0.9801  1.0
  Sr  Sr1  4  0.0000  0.3973  0.9425  1.0
  P  P2  4  0.0000  0.1965  0.5268  1.0
  O  O3  8  0.1278  0.2539  0.6357  1.0
  O  O4  8  0.1635  0.4891  0.2111  1.0
  O  O5  4  0.0000  0.0791  0.6262  1.0
  O  O6  4  0.0000  0.2021  0.2360  1.0
]