data_[Ta6P7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [7.5350]
_cell_length_b [7.5350]
_cell_length_c [18.4076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Ta6P7]
_chemical_formula_sum '[Ta6 P7]'
_cell_volume [905.1036]
_cell_formula_units_Z [1]
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  3  0.0000  0.5000  0.5833  1
  Ta  Ta1  2  0.3333  0.6667  0.4949  1
  Ta  Ta2  1  0.0000  0.0000  0.5324  1
  P  P3  6  0.0000  0.3153  0.4716  1
  P  P4  1  0.0000  0.0000  0.3982  1
]