data_[Mg12P8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [8.6116]
_cell_length_b [9.0929]
_cell_length_c [9.4192]
_cell_angle_alpha [115.9342]
_cell_angle_beta [91.3947]
_cell_angle_gamma [114.4133]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mg3(PO4)2]
_chemical_formula_sum '[Mg12 P8 O32]'
_cell_volume [584.7331]
_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
[
  Mg  Mg0  2  0.0172  0.2931  0.5561  1
  Mg  Mg1  2  0.0779  0.3018  0.8741  1
  Mg  Mg2  2  0.0968  0.1813  0.1609  1
  Mg  Mg3  2  0.4014  0.8072  0.3257  1
  Mg  Mg4  2  0.4065  0.4774  0.7374  1
  Mg  Mg5  2  0.4843  0.1085  0.1778  1
  P  P6  2  0.1783  0.6896  0.9474  1
  P  P7  2  0.2359  0.0716  0.4011  1
  P  P8  2  0.2703  0.5665  0.4505  1
  P  P9  2  0.3287  0.1790  0.9070  1
  O  O10  2  0.0027  0.6992  0.9304  1
  O  O11  2  0.0662  0.8892  0.3554  1
  O  O12  2  0.1066  0.3728  0.3896  1
  O  O13  2  0.1320  0.0600  0.9043  1
  O  O14  2  0.1571  0.5023  0.8006  1
  O  O15  2  0.2047  0.6789  0.1052  1
  O  O16  2  0.2118  0.7083  0.4570  1
  O  O17  2  0.2282  0.2363  0.5429  1
  O  O18  2  0.2464  0.0957  0.2473  1
  O  O19  2  0.3244  0.3307  0.8731  1
  O  O20  2  0.3285  0.8602  0.9528  1
  O  O21  2  0.3773  0.6290  0.6187  1
  O  O22  2  0.3795  0.5545  0.3195  1
  O  O23  2  0.3997  0.0560  0.4472  1
  O  O24  2  0.4095  0.0729  0.7832  1
  O  O25  2  0.4337  0.2678  0.0837  1
]