data_Zr7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.54
_cell_length_b   20.54
_cell_length_c   20.54
_cell_angle_alpha   8.75
_cell_angle_beta   8.75
_cell_angle_gamma   8.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr7Ni
_chemical_formula_sum   'Zr7 Ni1'
_cell_volume   173.88
_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  0.0  0.0  0.02  1.0
  Zr  Zr2  1  0.0  0.0  0.04  1.0
  Zr  Zr3  1  0.0  0.0  0.67  1.0
  Zr  Zr4  1  0.0  0.0  0.69  1.0
  Zr  Zr5  1  0.0  0.0  0.71  1.0
  Zr  Zr6  1  0.0  0.0  0.35  1.0
  Zr  Zr7  1  0.0  0.0  0.36  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0

data_Zr7Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.43
_cell_length_b   3.13
_cell_length_c   20.54
_cell_angle_alpha   90.0
_cell_angle_beta   95.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr7Ni
_chemical_formula_sum   'Zr14 Ni2'
_cell_volume   347.75
_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  2  -0.0  0.0  0.64  1.0
  Zr  Zr1  2  -0.0  0.0  0.65  1.0
  Zr  Zr2  2  -0.0  0.0  0.96  1.0
  Zr  Zr3  2  -0.0  0.0  0.98  1.0
  Zr  Zr4  2  -0.0  0.0  0.29  1.0
  Zr  Zr5  2  -0.0  0.0  0.31  1.0
  Zr  Zr6  2  -0.0  0.0  0.33  1.0
  Ni  Ni7  2  0.0  0.0  0.0  1.0

Zr Zr Zr Zr Zr Zr Zr Ni