# generated using pymatgen
data_BaYMgCuNiO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76267112
_cell_length_b   4.09582159
_cell_length_c   9.46048085
_cell_angle_alpha   90.00276151
_cell_angle_beta   90.01920181
_cell_angle_gamma   89.98453253
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaYMgCuNiO5
_chemical_formula_sum   'Ba1 Y1 Mg1 Cu1 Ni1 O5'
_cell_volume   145.79762913
_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  0.99961069  0.00000530  0.10938501  1.0
  Y  Y1  1  -0.00005790  0.99997243  0.48238749  1.0
  Mg  Mg2  1  0.00012728  0.49998067  0.82286075  1.0
  Cu  Cu3  1  0.49984535  0.50001236  0.31483444  1.0
  Ni  Ni4  1  0.50023969  0.49999997  0.60963614  1.0
  O  O5  1  0.00019348  0.49999083  0.61542999  1.0
  O  O6  1  0.50011950  0.99998894  0.61334775  1.0
  O  O7  1  -0.00010737  0.50003453  0.29901984  1.0
  O  O8  1  0.49987039  0.00001376  0.30445657  1.0
  O  O9  1  0.50015291  0.49999521  0.92727302  1.0