data_MnNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   3.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi3O4
_chemical_formula_sum   'Mn1 Ni3 O4'
_cell_volume   79.08
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.51  0.86  0.52  1.0
  Ni  Ni2  1  0.51  0.14  0.52  1.0
  Ni  Ni3  1  0.03  0.0  0.0  1.0
  O  O4  1  0.03  0.9  0.0  1.0
  O  O5  1  0.57  0.0  0.52  1.0
  O  O6  1  0.48  0.0  0.52  1.0
  O  O7  1  0.03  0.1  0.0  1.0

data_MnNi3O4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   109.58
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi3O4
_chemical_formula_sum   'Mn1 Ni3 O4'
_cell_volume   79.08
_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  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.03  0.0  1.0
  Ni  Ni2  1  0.52  0.51  0.14  1.0
  Ni  Ni3  1  0.52  0.51  0.86  1.0
  O  O4  1  -0.0  0.03  0.9  1.0
  O  O5  1  -0.0  0.03  0.1  1.0
  O  O6  1  0.52  0.48  0.0  1.0
  O  O7  1  0.52  0.57  0.0  1.0

Mn Ni Ni Ni O O O O
Mn Ni Ni Ni O O O O 0 3 o o o 0 4 o - o 0 7 o o o 1 6 o + o 1 5 o + o 2 6 o o o 3 4 o - o 3 7 o o o 5 6 o o o 