data_Zr2TaGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.48
_cell_angle_alpha   138.24
_cell_angle_beta   132.86
_cell_angle_gamma   64.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaGa
_chemical_formula_sum   'Zr2 Ta1 Ga1'
_cell_volume   79.32
_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  Zr2  1  0.0  0.0  0.24  1.0
  Zr  Zr3  1  0.95  0.0  0.38  1.0
  Ta  Ta1  1  0.0  0.19  0.2  1.0
  Ga  Ga0  1  0.0  0.0  0.69  1.0

data_Zr2TaGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.38
_cell_length_c   5.48
_cell_angle_alpha   113.57
_cell_angle_beta   110.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaGa
_chemical_formula_sum   'Zr2 Ta1 Ga1'
_cell_volume   79.32
_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  0.57  0.62  0.57  1.0
  Zr  Zr1  1  0.76  0.76  0.76  1.0
  Ta  Ta2  1  0.8  0.99  0.99  1.0
  Ga  Ga3  1  0.31  0.31  0.31  1.0

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