data_[Cu1Ni9O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1477]
_cell_length_b [5.9571]
_cell_length_c [6.6453]
_cell_angle_alpha [102.6318]
_cell_angle_beta [97.6140]
_cell_angle_gamma [106.0211]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuNi9O10]
_chemical_formula_sum '[Cu1 Ni9 O10]'
_cell_volume [187.0401]
_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
[
  Cu  Cu0  1  0.0000  0.5000  0.0000  1.0
  Ni  Ni1  2  0.2001  0.3998  0.3998  1.0
  Ni  Ni2  2  0.2009  0.9005  0.3993  1.0
  Ni  Ni3  2  0.3974  0.7972  0.8005  1.0
  Ni  Ni4  2  0.4006  0.2979  0.7997  1.0
  Ni  Ni5  1  0.0000  0.0000  0.0000  1.0
  O  O6  2  0.0984  0.9492  0.6996  1.0
  O  O7  2  0.1023  0.4501  0.6978  1.0
  O  O8  2  0.2956  0.3534  0.0985  1.0
  O  O9  2  0.3133  0.8674  0.1057  1.0
  O  O10  2  0.4994  0.7485  0.4989  1.0
]