# generated using pymatgen
data_BaEr2NiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78097470
_cell_length_b   5.76704066
_cell_length_c   6.63639117
_cell_angle_alpha   115.75356673
_cell_angle_beta   106.55087625
_cell_angle_gamma   90.00000474
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaEr2NiO5
_chemical_formula_sum   'Ba1 Er2 Ni1 O5'
_cell_volume   123.64253883
_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  0.50000100  0.50000100  0.00000000  1.0
  Er  Er1  1  0.29661800  0.79661800  0.59323600  1.0
  Er  Er2  1  0.70338200  0.20338300  0.40676500  1.0
  Ni  Ni3  1  0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.50000000  0.00000000  0.99999900  1.0
  O  O5  1  0.15100100  0.91148200  0.30200400  1.0
  O  O6  1  0.84899800  0.08851800  0.69799600  1.0
  O  O7  1  0.84899700  0.60947800  0.69799500  1.0
  O  O8  1  0.15100200  0.39052100  0.30200500  1.0