data_Zr7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr7Ni
_chemical_formula_sum   'Zr7 Ni1'
_cell_volume   173.46
_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  Zr1  1  0.44  0.71  0.0  1.0
  Zr  Zr2  1  0.57  0.71  0.0  1.0
  Zr  Zr3  1  0.13  0.0  0.0  1.0
  Zr  Zr4  1  0.0  0.81  0.56  1.0
  Zr  Zr5  1  0.43  0.52  0.56  1.0
  Zr  Zr6  1  0.57  0.52  0.56  1.0
  Zr  Zr7  1  0.13  0.81  0.56  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Zr7Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.11
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr7Ni
_chemical_formula_sum   'Zr7 Ni1'
_cell_volume   173.46
_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  0.13  0.0  1.0
  Zr  Zr1  1  0.0  0.44  0.71  1.0
  Zr  Zr2  1  0.0  0.57  0.71  1.0
  Zr  Zr3  1  0.56  0.0  0.81  1.0
  Zr  Zr4  1  0.56  0.13  0.81  1.0
  Zr  Zr5  1  0.56  0.43  0.52  1.0
  Zr  Zr6  1  0.56  0.57  0.52  1.0
  Ni  Ni7  1  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Zr Zr Zr Ni