data_[Li2V6Fe4Cu2O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.7152]
_cell_length_b [8.2391]
_cell_length_c [9.9651]
_cell_angle_alpha [107.0574]
_cell_angle_beta [103.4964]
_cell_angle_gamma [102.4660]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiV3Fe2CuO12]
_chemical_formula_sum '[Li2 V6 Fe4 Cu2 O24]'
_cell_volume [487.9737]
_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
[
  Li  Li0  1  0.0570  0.0114  0.0202  1
  Li  Li1  1  0.6009  0.9572  0.9228  1
  V  V2  1  0.1171  0.6031  0.8355  1
  V  V3  1  0.2212  0.1633  0.7641  1
  V  V4  1  0.4094  0.2284  0.3753  1
  V  V5  1  0.5867  0.7707  0.6232  1
  V  V6  1  0.7747  0.8375  0.2337  1
  V  V7  1  0.8820  0.3923  0.1606  1
  Fe  Fe8  1  0.0446  0.7042  0.5125  1
  Fe  Fe9  1  0.3779  0.4449  0.1064  1
  Fe  Fe10  1  0.6212  0.5528  0.8936  1
  Fe  Fe11  1  0.9560  0.2960  0.4860  1
  Cu  Cu12  1  0.2680  0.7801  0.2846  1
  Cu  Cu13  1  0.7208  0.2149  0.7052  1
  O  O14  1  0.0790  0.5582  0.6431  1
  O  O15  1  0.1239  0.5101  0.1477  1
  O  O16  1  0.1763  0.8214  0.9230  1
  O  O17  1  0.1859  0.9439  0.6792  1
  O  O18  1  0.2231  0.1989  0.9468  1
  O  O19  1  0.2340  0.2858  0.4687  1
  O  O20  1  0.3031  0.0061  0.2611  1
  O  O21  1  0.3310  0.5298  0.9219  1
  O  O22  1  0.3380  0.7259  0.4890  1
  O  O23  1  0.4325  0.3482  0.2587  1
  O  O24  1  0.4793  0.2783  0.7635  1
  O  O25  1  0.5187  0.7229  0.2350  1
  O  O26  1  0.5588  0.6626  0.7476  1
  O  O27  1  0.6607  0.2711  0.5091  1
  O  O28  1  0.6688  0.4671  0.0767  1
  O  O29  1  0.6766  0.9939  0.7420  1
  O  O30  1  0.7660  0.8064  0.0485  1
  O  O31  1  0.7692  0.7185  0.5359  1
  O  O32  1  0.8170  0.0563  0.3218  1
  O  O33  1  0.8345  0.1742  0.0687  1
  O  O34  1  0.8743  0.4927  0.8522  1
  O  O35  1  0.9178  0.4379  0.3520  1
  O  O36  1  0.9945  0.7791  0.3319  1
  O  O37  1  0.9984  0.2161  0.6643  1
]