# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65274072
_cell_length_b   4.65274072
_cell_length_c   47.54872994
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000001
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta22
_cell_volume   891.430022769
_cell_formula_units_Z   22
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  Ta1  1  0.917620  0.918573  0.311056  1
  Ta  Ta2  1  0.584287  0.585240  0.294990  1
  Ta  Ta3  1  0.584287  0.585240  0.351198  1
  Ta  Ta4  1  0.250953  0.251907  0.328793  1
  Ta  Ta5  1  0.250953  0.251907  0.390310  1
  Ta  Ta6  1  0.917620  0.918573  0.370307  1
  Ta  Ta7  1  0.917620  0.918573  0.430759  1
  Ta  Ta8  1  0.584287  0.585240  0.410958  1
  Ta  Ta9  1  0.584287  0.585240  0.471119  1
  Ta  Ta10  1  0.250953  0.251907  0.450910  1
  Ta  Ta11  1  0.250953  0.251907  0.511333  1
  Ta  Ta12  1  0.917620  0.918573  0.491174  1
  Ta  Ta13  1  0.917620  0.918573  0.551597  1
  Ta  Ta14  1  0.584287  0.585240  0.531388  1
  Ta  Ta15  1  0.584287  0.585240  0.591549  1
  Ta  Ta16  1  0.250953  0.251907  0.571748  1
  Ta  Ta17  1  0.250953  0.251907  0.632200  1
  Ta  Ta18  1  0.917620  0.918573  0.612197  1
  Ta  Ta19  1  0.917620  0.918573  0.673714  1
  Ta  Ta20  1  0.584287  0.585240  0.651309  1
  Ta  Ta21  1  0.584287  0.585240  0.707517  1
  Ta  Ta22  1  0.250953  0.251907  0.691451  1
