data_[La1V1Cu1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.9218]
_cell_length_b [5.0730]
_cell_length_c [6.6409]
_cell_angle_alpha [74.5669]
_cell_angle_beta [69.4232]
_cell_angle_gamma [66.9578]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LaVCuO6]
_chemical_formula_sum '[La1 V1 Cu1 O6]'
_cell_volume [141.2493]
_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
[
  La  La0  1  0.7569  0.1382  0.7837  1
  V  V1  1  0.5138  0.0537  0.3385  1
  Cu  Cu2  1  0.9982  0.4745  0.0407  1
  O  O3  1  0.1869  0.2056  0.8643  1
  O  O4  1  0.2789  0.9026  0.5496  1
  O  O5  1  0.3265  0.3355  0.1593  1
  O  O6  1  0.6945  0.2046  0.4336  1
  O  O7  1  0.7843  0.6023  0.8399  1
  O  O8  1  0.8017  0.8227  0.1490  1
]