data_[V16Mo4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I4_1md]
_cell_length_a [6.8856]
_cell_length_b [6.8856]
_cell_length_c [8.4500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [109]
_chemical_formula_structural [V4MoP]
_chemical_formula_sum '[V16 Mo4 P4]'
_cell_volume [400.6250]
_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
[
  V  V0  8  0.0000  0.3238  0.2559  1
  V  V1  8  0.0000  0.3358  0.7443  1
  Mo  Mo2  4  0.0000  0.0000  0.7538  1
  P  P3  4  0.0000  0.0000  0.2460  1
]