# generated using pymatgen
data_Mn2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86457587
_cell_length_b   5.93653792
_cell_length_c   5.94253855
_cell_angle_alpha   120.03165002
_cell_angle_beta   90.00127306
_cell_angle_gamma   119.59774520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiO4
_chemical_formula_sum   'Mn4 Ni2 O8'
_cell_volume   147.10609501
_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  0.99441322  0.98886471  0.99443135  1.0
  Mn  Mn1  1  0.75549175  0.51095100  0.25547355  1.0
  Mn  Mn2  1  0.37497351  0.25000561  0.62500319  1.0
  Mn  Mn3  1  0.87503226  0.25000455  0.62500193  1.0
  Ni  Ni4  1  0.37504042  0.75007110  0.62502166  1.0
  Ni  Ni5  1  0.37503010  0.75007017  0.12505468  1.0
  O  O6  1  0.16548329  0.79891146  0.39945093  1.0
  O  O7  1  0.63344945  0.79891124  0.39945901  1.0
  O  O8  1  0.11666221  0.70114853  0.85056802  1.0
  O  O9  1  0.58446265  0.70115278  0.85058022  1.0
  O  O10  1  0.62226819  0.24453053  0.84015221  1.0
  O  O11  1  0.62226644  0.24453589  0.40438548  1.0
  O  O12  1  0.12771204  0.25542067  0.84559643  1.0
  O  O13  1  0.12771047  0.25542376  0.40982135  1.0