data_[Mg8Ni16P16O64]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0644]
_cell_length_b [4.9396]
_cell_length_c [16.3474]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1212]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgNi2(PO4)2]
_chemical_formula_sum '[Mg8 Ni16 P16 O64]'
_cell_volume [1191.8805]
_cell_formula_units_Z [8]
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  8  0.1493  0.2930  0.6266  1
  Ni  Ni1  8  0.0981  0.2978  0.9693  1
  Ni  Ni2  4  0.0000  0.3908  0.7500  1
  Ni  Ni3  4  0.2500  0.2500  0.5000  1
  P  P4  8  0.0223  0.2010  0.1134  1
  P  P5  8  0.2103  0.2783  0.8581  1
  O  O6  8  0.0259  0.1160  0.6107  1
  O  O7  8  0.0503  0.3144  0.2100  1
  O  O8  8  0.0774  0.2830  0.4629  1
  O  O9  8  0.0912  0.3175  0.0865  1
  O  O10  8  0.1186  0.2736  0.8576  1
  O  O11  8  0.2020  0.2059  0.7646  1
  O  O12  8  0.2276  0.4338  0.0624  1
  O  O13  8  0.2407  0.0550  0.6034  1
]