data_ZrTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.66
_cell_angle_alpha   91.75
_cell_angle_beta   91.75
_cell_angle_gamma   32.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa3
_chemical_formula_sum   'Zr1 Ta3'
_cell_volume   78.32
_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  Ta0  1  0.28  0.0  0.18  1.0
  Ta  Ta1  1  0.26  0.0  0.47  1.0
  Ta  Ta2  1  0.77  0.0  0.83  1.0

data_ZrTa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   5.06
_cell_length_c   5.66
_cell_angle_alpha   91.75
_cell_angle_beta   90.0
_cell_angle_gamma   106.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa3
_chemical_formula_sum   'Zr1 Ta3'
_cell_volume   78.32
_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  0.23  0.17  1.0
  Ta  Ta2  1  0.0  0.72  0.82  1.0
  Ta  Ta3  1  0.0  0.74  0.53  1.0

Zr Ta Ta Ta
Zr Ta Ta Ta 0 3 - o - 0 1 o o o 1 2 o o o 