# generated using pymatgen
data_MgCu2(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17003903
_cell_length_b   5.78922044
_cell_length_c   5.78878765
_cell_angle_alpha   60.00247294
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.99169971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2(NiO2)4
_chemical_formula_sum   'Mg1 Cu2 Ni4 O8'
_cell_volume   150.49868477
_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  0.62500000  0.75000000  0.12500000  1.0
  Cu  Cu1  1  0.08728400  0.05857000  0.97071500  1.0
  Cu  Cu2  1  0.16271600  0.44143000  0.27928500  1.0
  Ni  Ni3  1  0.62500000  0.25000000  0.12500000  1.0
  Ni  Ni4  1  0.62500000  0.25000000  0.62500000  1.0
  Ni  Ni5  1  0.62500000  0.75000000  0.62500000  1.0
  Ni  Ni6  1  0.12500000  0.75000000  0.62500000  1.0
  O  O7  1  0.81031100  0.20725300  0.39637400  1.0
  O  O8  1  0.38943700  0.25636200  0.37181900  1.0
  O  O9  1  0.86056300  0.24363800  0.87818100  1.0
  O  O10  1  0.86044300  0.73869800  0.38318100  1.0
  O  O11  1  0.43968900  0.29274700  0.85362600  1.0
  O  O12  1  0.86044300  0.73869800  0.87812100  1.0
  O  O13  1  0.38955700  0.76130200  0.37187900  1.0
  O  O14  1  0.38955700  0.76130200  0.86681900  1.0