data_Zr5Ta4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   92.86
_cell_angle_beta   92.86
_cell_angle_gamma   154.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr5Ta4
_chemical_formula_sum   'Zr5 Ta4'
_cell_volume   186.58
_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  Zr4  1  0.0  0.0  0.0  1.0
  Zr  Zr5  1  0.48  0.48  0.0  1.0
  Zr  Zr6  1  0.24  0.76  0.7  1.0
  Zr  Zr7  1  0.76  0.24  0.7  1.0
  Zr  Zr8  1  0.76  0.76  0.7  1.0
  Ta  Ta0  1  0.0  0.65  0.0  1.0
  Ta  Ta1  1  0.0  0.83  0.0  1.0
  Ta  Ta2  1  0.65  0.0  0.0  1.0
  Ta  Ta3  1  0.83  0.0  0.0  1.0

data_Zr5Ta4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.4
_cell_length_b   14.82
_cell_length_c   7.6
_cell_angle_alpha   90.0
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr5Ta4
_chemical_formula_sum   'Zr10 Ta8'
_cell_volume   373.16
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.2  0.26  0.7  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Zr  Zr2  2  0.02  0.5  0.0  1.0
  Zr  Zr3  2  0.44  0.5  0.7  1.0
  Ta  Ta4  4  0.08  0.08  -0.0  1.0
  Ta  Ta5  4  0.18  0.18  -0.0  1.0

Zr Zr Zr Zr Zr Ta Ta Ta Ta