data_[V2Cu2P4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.9096]
_cell_length_b [5.9574]
_cell_length_c [10.0077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VCu(PO4)2]
_chemical_formula_sum '[V2 Cu2 P4 O16]'
_cell_volume [291.8578]
_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
[
  V  V0  2  0.4398  0.2500  0.2110  1
  Cu  Cu1  2  0.1358  0.2500  0.7010  1
  P  P2  2  0.0950  0.7500  0.6048  1
  P  P3  2  0.4101  0.7500  0.0913  1
  O  O4  4  0.2725  0.5566  0.6764  1
  O  O5  4  0.2843  0.5356  0.1561  1
  O  O6  2  0.1146  0.7500  0.4543  1
  O  O7  2  0.2022  0.2500  0.3595  1
  O  O8  2  0.2792  0.2500  0.8824  1
  O  O9  2  0.3282  0.7500  0.9392  1
]