# generated using pymatgen
data_Fe(NiO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87566996
_cell_length_b   5.92567277
_cell_length_c   5.93156099
_cell_angle_alpha   120.03303058
_cell_angle_beta   90.00050193
_cell_angle_gamma   119.72091638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe(NiO2)2
_chemical_formula_sum   'Fe2 Ni4 O8'
_cell_volume   146.57205440
_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
  Fe  Fe0  1  0.37046300  0.24092500  0.12046400  1.0
  Fe  Fe1  1  0.62953700  0.75907500  0.87953500  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.50000000  0.00000000  1.0
  O  O6  1  0.75772800  0.01545000  0.26952500  1.0
  O  O7  1  0.23834100  0.50779200  0.25389600  1.0
  O  O8  1  0.24227100  0.98455000  0.73047500  1.0
  O  O9  1  0.76945300  0.50778800  0.25389500  1.0
  O  O10  1  0.24226900  0.98453200  0.25406300  1.0
  O  O11  1  0.76165900  0.49220800  0.74610400  1.0
  O  O12  1  0.75773200  0.01546800  0.74593800  1.0
  O  O13  1  0.23054700  0.49221200  0.74610600  1.0