data_TaSi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   4.56
_cell_angle_alpha   96.19
_cell_angle_beta   96.19
_cell_angle_gamma   33.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi3
_chemical_formula_sum   'Ta1 Si3'
_cell_volume   59.68
_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  Ta3  1  0.43  0.0  0.27  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.87  0.0  0.41  1.0
  Si  Si2  1  0.99  0.0  0.13  1.0

data_TaSi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   96.19
_cell_angle_beta   106.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaSi3
_chemical_formula_sum   'Ta1 Si3'
_cell_volume   59.68
_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  1  0.0  0.27  0.43  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.13  0.99  1.0
  Si  Si3  1  0.0  0.41  0.87  1.0

Ta Si Si Si