data_[V16Cr1O41]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [11.6498]
_cell_length_b [14.6785]
_cell_length_c [4.6087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [V16CrO41]
_chemical_formula_sum '[V16 Cr1 O41]'
_cell_volume [788.0954]
_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
[
  V  V0  4  0.1494  0.2482  0.1083  1
  V  V1  4  0.3405  0.3676  0.8742  1
  V  V2  4  0.3504  0.1230  0.8898  1
  V  V3  2  0.1490  0.5000  0.1170  1
  V  V4  2  0.1490  0.0000  0.1110  1
  Cr  Cr5  1  0.5000  0.5000  0.1348  1
  O  O6  4  0.1447  0.2486  0.4578  1
  O  O7  4  0.1807  0.1239  0.0078  1
  O  O8  4  0.1819  0.3738  0.0029  1
  O  O9  4  0.3192  0.2458  0.9952  1
  O  O10  4  0.3443  0.3643  0.5240  1
  O  O11  4  0.3538  0.1236  0.5398  1
  O  O12  2  0.0000  0.2489  0.0007  1
  O  O13  2  0.1456  0.0000  0.4608  1
  O  O14  2  0.1486  0.5000  0.4685  1
  O  O15  2  0.3175  0.0000  0.9940  1
  O  O16  2  0.3411  0.5000  0.9981  1
  O  O17  2  0.5000  0.1236  0.9961  1
  O  O18  2  0.5000  0.3785  0.9904  1
  O  O19  1  0.0000  0.0000  0.0029  1
  O  O20  1  0.0000  0.5000  0.0212  1
  O  O21  1  0.5000  0.5000  0.4799  1
]