data_[Ta4V6P4]
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 [C2/m]
_cell_length_a [9.4124]
_cell_length_b [3.3697]
_cell_length_c [6.8186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.3721]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta2V3P2]
_chemical_formula_sum '[Ta4 V6 P4]'
_cell_volume [198.5164]
_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  0.1329  0.0000  0.7899  1.0
  V  V1  4  0.1284  0.5000  0.4366  1.0
  V  V2  2  0.0000  0.5000  0.0000  1.0
  P  P3  4  0.1636  0.0000  0.2146  1.0
]