data_[V14P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8835]
_cell_length_b [7.4174]
_cell_length_c [4.4983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V7(PH)2]
_chemical_formula_sum '[V14 P4 H4]'
_cell_volume [257.0056]
_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  8  0.1963  0.3153  0.7318  1
  V  V1  4  0.1036  0.5000  0.2405  1
  V  V2  2  0.0000  0.0000  0.5000  1
  P  P3  4  0.0000  0.1945  0.0000  1
  H  H4  4  0.2177  0.0000  0.4459  1
]