# generated using pymatgen
data_Mn4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92836547
_cell_length_b   5.92836547
_cell_length_c   5.94482125
_cell_angle_alpha   61.43181063
_cell_angle_beta   61.43181063
_cell_angle_gamma   58.62706452
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn4NiO8
_chemical_formula_sum   'Mn4 Ni1 O8'
_cell_volume   149.16676563
_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  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn1  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn2  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn3  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni4  1  0.50000000  0.50000000  0.00000000  1.0
  O  O5  1  0.73051700  0.73051700  0.80598300  1.0
  O  O6  1  0.72591400  0.21894400  0.79451900  1.0
  O  O7  1  0.21894400  0.72591400  0.79451900  1.0
  O  O8  1  0.25603800  0.25603800  0.77551700  1.0
  O  O9  1  0.74396200  0.74396200  0.22448300  1.0
  O  O10  1  0.78105600  0.27408600  0.20548100  1.0
  O  O11  1  0.27408600  0.78105600  0.20548100  1.0
  O  O12  1  0.26948300  0.26948300  0.19401700  1.0