data_[V2Ni4P6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.2404]
_cell_length_b [8.7423]
_cell_length_c [5.2464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [VNi2P3]
_chemical_formula_sum '[V2 Ni4 P6]'
_cell_volume [148.6231]
_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  0.0000  0.1074  0.4983  1.0
  Ni  Ni1  2  0.0000  0.2239  0.9959  1.0
  Ni  Ni2  2  0.5000  0.4721  0.0141  1.0
  P  P3  2  0.0000  0.3795  0.3325  1.0
  P  P4  2  0.5000  0.0719  0.1635  1.0
  P  P5  2  0.5000  0.2834  0.6970  1.0
]