data_[Ta4V4P4]
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 [8.3162]
_cell_length_b [3.2616]
_cell_length_c [7.2812]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6304]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaVP]
_chemical_formula_sum '[Ta4 V4 P4]'
_cell_volume [189.2355]
_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
[
  Ta  Ta0  4  0.1035  0.5000  0.3885  1
  V  V1  4  0.2432  0.5000  0.8213  1
  P  P2  4  0.0504  0.0000  0.8669  1
]