data_ZrNi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.2
_cell_length_b   6.2
_cell_length_c   2.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.47
_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  0.58  0.0  0.0  1.0
  Ni  Ni0  1  0.37  0.27  0.27  1.0
  Ni  Ni1  1  0.58  0.47  0.0  1.0
  Ni  Ni2  1  0.37  0.73  0.27  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.79  0.27  0.27  1.0
  Ni  Ni5  1  0.58  0.53  0.0  1.0
  Ni  Ni6  1  0.79  0.73  0.27  1.0

data_ZrNi7
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.53
_cell_length_b   6.2
_cell_length_c   6.2
_cell_angle_alpha   109.47
_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  Zr0  1  0.0  0.58  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.58  0.53  1.0
  Ni  Ni3  1  0.0  0.58  0.47  1.0
  Ni  Ni4  1  0.27  0.37  0.27  1.0
  Ni  Ni5  1  0.27  0.37  0.73  1.0
  Ni  Ni6  1  0.27  0.79  0.27  1.0
  Ni  Ni7  1  0.27  0.79  0.73  1.0

Zr Ni Ni Ni Ni Ni Ni Ni