data_ZrTa2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.63
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Zn
_chemical_formula_sum   'Zr1 Ta2 Zn1'
_cell_volume   74.18
_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  0.56  0.81  0.85  1.0
  Ta  Ta0  1  0.0  0.0  0.11  1.0
  Ta  Ta1  1  0.56  0.81  0.68  1.0
  Zn  Zn2  1  0.0  0.0  0.17  1.0

data_ZrTa2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   3.63
_cell_length_c   6.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa2Zn
_chemical_formula_sum   'Zr1 Ta2 Zn1'
_cell_volume   74.18
_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  0.56  0.81  0.85  1.0
  Ta  Ta1  1  0.0  0.0  0.11  1.0
  Ta  Ta2  1  0.56  0.81  0.68  1.0
  Zn  Zn3  1  0.0  0.0  0.17  1.0

Zr Ta Ta Zn
Zr Ta Ta Zn 0 2 o o o 1 3 o o o 