# generated using pymatgen
data_Mn2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85048192
_cell_length_b   5.85048192
_cell_length_c   6.19014498
_cell_angle_alpha   61.82338508
_cell_angle_beta   61.82338508
_cell_angle_gamma   89.88896550
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2NiO4
_chemical_formula_sum   'Mn4 Ni2 O8'
_cell_volume   157.83520105
_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  0.50208400  0.99993100  0.99648000  1.0
  Mn  Mn1  1  0.99993100  0.50208400  0.49648000  1.0
  Mn  Mn2  1  0.50185000  0.50183700  0.49772100  1.0
  Mn  Mn3  1  0.50183700  0.50185000  0.99772100  1.0
  Ni  Ni4  1  0.87873700  0.12805000  0.24352800  1.0
  Ni  Ni5  1  0.12805000  0.87873700  0.74352800  1.0
  O  O6  1  0.25013300  0.72324100  0.49817700  1.0
  O  O7  1  0.72324100  0.25013300  0.99817700  1.0
  O  O8  1  0.74497200  0.72362200  0.50867100  1.0
  O  O9  1  0.28029100  0.25099200  0.99743300  1.0
  O  O10  1  0.25099200  0.28029100  0.49743300  1.0
  O  O11  1  0.72362200  0.74497200  0.00867100  1.0
  O  O12  1  0.74611500  0.26867100  0.50820700  1.0
  O  O13  1  0.26867100  0.74611500  0.00820700  1.0