data_[Mn3Zn9P8O32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  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 [5.1265]
_cell_length_b [11.5856]
_cell_length_c [11.5928]
_cell_angle_alpha [96.8676]
_cell_angle_beta [93.1836]
_cell_angle_gamma [93.4513]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Mn3Zn9(PO4)8]
_chemical_formula_sum '[Mn3 Zn9 P8 O32]'
_cell_volume [680.9930]
_cell_formula_units_Z [1]
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
[
  Mn  Mn0  1  0.0000  0.5000  0.0000  1
  Mn  Mn1  1  0.5000  0.0000  0.0000  1
  Mn  Mn2  1  0.5000  0.5000  0.5000  1
  Zn  Zn3  2  0.0784  0.2420  0.3786  1
  Zn  Zn4  2  0.0793  0.7427  0.8784  1
  Zn  Zn5  2  0.4206  0.1212  0.7571  1
  Zn  Zn6  2  0.4211  0.6215  0.2574  1
  Zn  Zn7  1  0.0000  0.0000  0.5000  1
  P  P8  2  0.0337  0.5032  0.6968  1
  P  P9  2  0.0340  0.0033  0.1978  1
  P  P10  2  0.4662  0.3031  0.9967  1
  P  P11  2  0.4686  0.8049  0.4963  1
  O  O12  2  0.0472  0.6396  0.7210  1
  O  O13  2  0.0474  0.1396  0.2212  1
  O  O14  2  0.0676  0.0491  0.6923  1
  O  O15  2  0.0680  0.5496  0.1940  1
  O  O16  2  0.1641  0.0408  0.9044  1
  O  O17  2  0.1644  0.5407  0.4054  1
  O  O18  2  0.1877  0.3302  0.0336  1
  O  O19  2  0.1899  0.8326  0.5335  1
  O  O20  2  0.3122  0.9664  0.1699  1
  O  O21  2  0.3124  0.4665  0.6697  1
  O  O22  2  0.3286  0.0929  0.4604  1
  O  O23  2  0.3356  0.5945  0.9592  1
  O  O24  2  0.4323  0.8060  0.9505  1
  O  O25  2  0.4325  0.3046  0.4504  1
  O  O26  2  0.4529  0.2788  0.8606  1
  O  O27  2  0.4534  0.7791  0.3605  1
]