data_[Ta6V8P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3222]
_cell_length_b [7.3773]
_cell_length_c [12.6675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ta3(VP)4]
_chemical_formula_sum '[Ta6 V8 P8]'
_cell_volume [310.4697]
_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
[
  Ta  Ta0  4  0.0000  0.0000  0.1139  1
  Ta  Ta1  2  0.0000  0.5000  0.0000  1
  V  V2  8  0.0000  0.1991  0.3259  1
  P  P3  4  0.0000  0.2964  0.5000  1
  P  P4  4  0.0000  0.5000  0.2300  1
]