data_[Mg2Ni4P4O16]
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/m]
_cell_length_a [8.1772]
_cell_length_b [5.4808]
_cell_length_c [6.5107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgNi2(PO4)2]
_chemical_formula_sum '[Mg2 Ni4 P4 O16]'
_cell_volume [291.3340]
_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
[
  Mg  Mg0  2  0.0000  0.5000  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  Ni  Ni2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.1669  0.5000  0.2162  1
  O  O4  8  0.0442  0.2743  0.2456  1
  O  O5  4  0.2338  0.0000  0.5727  1
  O  O6  4  0.2414  0.0000  0.9749  1
]