data_[Cu2Sb2O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0962]
_cell_length_b [5.5230]
_cell_length_c [6.0592]
_cell_angle_alpha [65.1297]
_cell_angle_beta [67.9143]
_cell_angle_gamma [82.1372]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuSbO2]
_chemical_formula_sum '[Cu2 Sb2 O4]'
_cell_volume [143.3295]
_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
[
  Cu  Cu0  2  0.0454  0.7302  0.0331  1.0
  Sb  Sb1  2  0.3749  0.8069  0.4095  1.0
  O  O2  2  0.2580  0.3905  0.6579  1.0
  O  O3  2  0.3599  0.8420  0.7336  1.0
]