# generated using pymatgen
data_Ba(NiO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48453866
_cell_length_b   5.48453866
_cell_length_c   7.73908300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000798
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba(NiO2)4
_chemical_formula_sum   'Ba1 Ni4 O8'
_cell_volume   201.60453897
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.33333300  0.66666700  0.76474800  1.0
  Ni  Ni2  1  0.66666700  0.33333300  0.76474800  1.0
  Ni  Ni3  1  0.33333300  0.66666700  0.23525200  1.0
  Ni  Ni4  1  0.66666700  0.33333300  0.23525200  1.0
  O  O5  1  0.35977400  0.35977400  0.70717000  1.0
  O  O6  1  0.64022600  0.00000000  0.70717000  1.0
  O  O7  1  0.00000000  0.64022600  0.70717000  1.0
  O  O8  1  0.64022600  0.64022600  0.29283000  1.0
  O  O9  1  0.00000000  0.35977400  0.29283000  1.0
  O  O10  1  0.35977400  0.00000000  0.29283000  1.0
  O  O11  1  0.33333300  0.66666700  0.00000000  1.0
  O  O12  1  0.66666700  0.33333300  0.00000000  1.0