# generated using pymatgen
data_TaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32499920
_cell_length_b   3.32499920
_cell_length_c   6.16650175
_cell_angle_alpha   105.64055952
_cell_angle_beta   105.64055952
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaP
_chemical_formula_sum   'Ta2 P2'
_cell_volume   63.02473264
_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  1  0.24958442  0.74958442  0.49916685  1.0
  Ta  Ta1  1  0.99958442  0.99958442  0.99916685  1.0
  P  P2  1  0.66641558  0.16641558  0.33283315  1.0
  P  P3  1  0.41641558  0.41641558  0.83283315  1.0