data_[Ca4V4As8O28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.1361]
_cell_length_b [8.5787]
_cell_length_c [10.6529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2702]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaVAs2O7]
_chemical_formula_sum '[Ca4 V4 As8 O28]'
_cell_volume [648.6083]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.2593  0.5679  0.4050  1
  V  V1  4  0.2011  0.5634  0.7841  1
  As  As2  4  0.0485  0.1843  0.4558  1
  As  As3  4  0.4482  0.2382  0.7504  1
  O  O4  4  0.0273  0.1154  0.8927  1
  O  O5  4  0.0381  0.0993  0.2995  1
  O  O6  4  0.2388  0.6654  0.9292  1
  O  O7  4  0.3130  0.1808  0.5691  1
  O  O8  4  0.3303  0.7496  0.7322  1
  O  O9  4  0.3667  0.0789  0.2571  1
  O  O10  4  0.4445  0.1115  0.8721  1
]