# generated using pymatgen
data_MgCo4(NiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68345241
_cell_length_b   5.79173333
_cell_length_c   6.68345111
_cell_angle_alpha   64.32352717
_cell_angle_beta   51.17026830
_cell_angle_gamma   64.32352573
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCo4(NiO4)2
_chemical_formula_sum   'Mg1 Co4 Ni2 O8'
_cell_volume   176.75853237
_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
  Mg  Mg0  1  0.62661700  0.62338300  0.62661700  1.0
  Co  Co1  1  0.12771300  0.12228700  0.12771300  1.0
  Co  Co2  1  0.45516200  0.05545900  0.45516200  1.0
  Co  Co3  1  0.45516200  0.53421700  0.45516200  1.0
  Co  Co4  1  0.87376400  0.87623600  0.87376400  1.0
  Ni  Ni5  1  0.05859000  0.45304200  0.53532500  1.0
  Ni  Ni6  1  0.53532500  0.45304200  0.05859000  1.0
  O  O7  1  0.25816800  0.25750200  0.25816800  1.0
  O  O8  1  0.25055200  0.26092400  0.72760000  1.0
  O  O9  1  0.25816800  0.72616200  0.25816800  1.0
  O  O10  1  0.72760000  0.26092400  0.25055200  1.0
  O  O11  1  0.25068600  0.77019600  0.70892200  1.0
  O  O12  1  0.76928600  0.25130600  0.76928600  1.0
  O  O13  1  0.70892200  0.77019600  0.25068600  1.0
  O  O14  1  0.76928600  0.71012300  0.76928600  1.0