# generated using pymatgen
data_Mn2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19500548
_cell_length_b   6.19500548
_cell_length_c   6.19500548
_cell_angle_alpha   123.64645511
_cell_angle_beta   123.64645511
_cell_angle_gamma   83.79227513
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiO4
_chemical_formula_sum   'Mn4 Ni2 O8'
_cell_volume   157.83598069
_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
  Mn  Mn0  1  0.37500000  0.62500000  0.75000000  1.0
  Mn  Mn1  1  0.37500000  0.12500000  0.75000000  1.0
  Mn  Mn2  1  0.37500000  0.62500000  0.25000000  1.0
  Mn  Mn3  1  0.87500000  0.62500000  0.25000000  1.0
  Ni  Ni4  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  0.00000000  1.0
  O  O6  1  0.59963800  0.87766800  0.72197000  1.0
  O  O7  1  0.62766800  0.40569700  0.77803000  1.0
  O  O8  1  0.61051400  0.38291500  0.22759900  1.0
  O  O9  1  0.62766800  0.84963800  0.22197000  1.0
  O  O10  1  0.15569700  0.87766800  0.27803000  1.0
  O  O11  1  0.13291500  0.40531600  0.27240100  1.0
  O  O12  1  0.15531600  0.38291500  0.77240100  1.0
  O  O13  1  0.13291500  0.86051400  0.72759900  1.0