data_[Mg1Fe7Ni6O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.0346]
_cell_length_b [6.0464]
_cell_length_c [10.4504]
_cell_angle_alpha [90.0271]
_cell_angle_beta [105.5300]
_cell_angle_gamma [119.7644]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgFe7(Ni3O8)2]
_chemical_formula_sum '[Mg1 Fe7 Ni6 O16]'
_cell_volume [314.8385]
_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
[
  Mg  Mg0  1  0.4076  0.4616  0.3415  1
  Fe  Fe1  1  0.2826  0.1517  0.0763  1
  Fe  Fe2  1  0.3675  0.9432  0.8276  1
  Fe  Fe3  1  0.4074  0.7116  0.0818  1
  Fe  Fe4  1  0.8158  0.4179  0.1585  1
  Fe  Fe5  1  0.8587  0.9349  0.8351  1
  Fe  Fe6  1  0.8639  0.4384  0.8397  1
  Fe  Fe7  1  0.9105  0.9645  0.3309  1
  Ni  Ni8  1  0.3662  0.4394  0.8290  1
  Ni  Ni9  1  0.3667  0.6922  0.5712  1
  Ni  Ni10  1  0.3838  0.2020  0.5831  1
  Ni  Ni11  1  0.4062  0.9661  0.3389  1
  Ni  Ni12  1  0.8820  0.6911  0.5739  1
  Ni  Ni13  1  0.8831  0.2073  0.5750  1
  O  O14  1  0.1019  0.3018  0.9379  1
  O  O15  1  0.1148  0.8221  0.9399  1
  O  O16  1  0.1231  0.0637  0.7114  1
  O  O17  1  0.1316  0.5789  0.7020  1
  O  O18  1  0.1481  0.3200  0.4654  1
  O  O19  1  0.1482  0.8504  0.4642  1
  O  O20  1  0.1742  0.1001  0.2348  1
  O  O21  1  0.1917  0.6074  0.2142  1
  O  O22  1  0.5855  0.8048  0.9320  1
  O  O23  1  0.5873  0.2976  0.9614  1
  O  O24  1  0.6220  0.0569  0.7092  1
  O  O25  1  0.6338  0.3246  0.4726  1
  O  O26  1  0.6349  0.5795  0.7118  1
  O  O27  1  0.6503  0.8335  0.4587  1
  O  O28  1  0.6627  0.0850  0.2169  1
  O  O29  1  0.6629  0.5996  0.2174  1
]