data_ZrNi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.58
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi7
_chemical_formula_sum   'Zr1 Ni7'
_cell_volume   91.77
_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  Zr7  1  0.79  0.79  0.58  1.0
  Ni  Ni0  1  0.0  0.79  0.79  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.79  0.37  1.0
  Ni  Ni3  1  0.0  0.0  0.58  1.0
  Ni  Ni4  1  0.79  0.0  0.79  1.0
  Ni  Ni5  1  0.79  0.79  0.0  1.0
  Ni  Ni6  1  0.79  0.0  0.37  1.0

data_ZrNi7
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrNi7
_chemical_formula_sum   'Zr2 Ni14'
_cell_volume   183.53
_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  0.29  0.5  0.58  1.0
  Ni  Ni1  4  0.39  0.4  0.37  1.0
  Ni  Ni2  4  0.39  0.4  0.79  1.0
  Ni  Ni3  2  0.0  0.0  0.0  1.0
  Ni  Ni4  2  0.0  0.0  0.58  1.0
  Ni  Ni5  2  0.29  0.5  -0.0  1.0

Zr Ni Ni Ni Ni Ni Ni Ni
Zr Ni Ni Ni Ni Ni Ni Ni 0 4 + + o 1 5 - + o 2 6 - - o 3 7 - + o 