data_ZrTaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.92
_cell_angle_alpha   114.76
_cell_angle_beta   114.76
_cell_angle_gamma   46.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaSi2
_chemical_formula_sum   'Zr1 Ta1 Si2'
_cell_volume   68.94
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.16  0.0  0.19  1.0
  Si  Si0  1  0.78  0.0  0.37  1.0
  Si  Si1  1  0.53  0.0  0.0  1.0

data_ZrTaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.66
_cell_length_c   4.92
_cell_angle_alpha   114.76
_cell_angle_beta   90.0
_cell_angle_gamma   113.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaSi2
_chemical_formula_sum   'Zr1 Ta1 Si2'
_cell_volume   68.94
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.0  0.84  0.81  1.0
  Si  Si2  1  0.0  0.22  0.63  1.0
  Si  Si3  1  0.0  0.47  1.0  1.0

Zr Ta Si Si
Zr Ta Si Si 0 1 o o o 2 3 o o o 