# generated using pymatgen
data_Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21323241
_cell_length_b   5.89075720
_cell_length_c   47.53756616
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta
_chemical_formula_sum   Ta28
_cell_volume   1179.8409951
_cell_formula_units_Z   28
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  0.498894  0.129624  0.299005  1
  Ta  Ta2  1  -0.001106  0.379624  0.327084  1
  Ta  Ta3  1  -0.001106  0.879624  0.327084  1
  Ta  Ta4  1  0.498894  0.629624  0.299005  1
  Ta  Ta5  1  0.498894  0.629624  0.359191  1
  Ta  Ta6  1  -0.001106  0.879624  0.390342  1
  Ta  Ta7  1  -0.001106  0.379624  0.390342  1
  Ta  Ta8  1  0.498894  0.129624  0.359191  1
  Ta  Ta9  1  0.498894  0.129624  0.421830  1
  Ta  Ta10  1  -0.001106  0.379624  0.453167  1
  Ta  Ta11  1  -0.001106  0.879624  0.453167  1
  Ta  Ta12  1  0.498894  0.629624  0.421830  1
  Ta  Ta13  1  0.498894  0.629624  0.484571  1
  Ta  Ta14  1  -0.001106  0.879624  0.515940  1
  Ta  Ta15  1  -0.001106  0.379624  0.515940  1
  Ta  Ta16  1  0.498894  0.129624  0.484571  1
  Ta  Ta17  1  0.498894  0.129624  0.547344  1
  Ta  Ta18  1  -0.001106  0.379624  0.578681  1
  Ta  Ta19  1  -0.001106  0.879624  0.578681  1
  Ta  Ta20  1  0.498894  0.629624  0.547344  1
  Ta  Ta21  1  0.498894  0.629624  0.610169  1
  Ta  Ta22  1  -0.001106  0.879624  0.641320  1
  Ta  Ta23  1  -0.001106  0.379624  0.641320  1
  Ta  Ta24  1  0.498894  0.129624  0.610169  1
  Ta  Ta25  1  0.498894  0.129624  0.673428  1
  Ta  Ta26  1  -0.001106  0.379624  0.701506  1
  Ta  Ta27  1  -0.001106  0.879624  0.701506  1
  Ta  Ta28  1  0.498894  0.629624  0.673428  1
