data_SrZrNi6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   11.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZrNi6
_chemical_formula_sum   'Sr4 Zr4 Ni24'
_cell_volume   462.48
_cell_formula_units_Z   4
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
  Sr  Sr24  1  0.85  0.8  0.0  1.0
  Sr  Sr25  1  0.85  0.2  0.0  1.0
  Sr  Sr26  1  0.0  0.0  0.8  1.0
  Sr  Sr27  1  0.0  0.0  0.2  1.0
  Zr  Zr28  1  0.85  0.75  0.5  1.0
  Zr  Zr29  1  0.85  0.25  0.5  1.0
  Zr  Zr30  1  0.85  0.0  0.83  1.0
  Zr  Zr31  1  0.85  0.0  0.17  1.0
  Ni  Ni0  1  0.85  0.63  0.88  1.0
  Ni  Ni1  1  0.7  0.59  0.21  1.0
  Ni  Ni2  1  0.99  0.41  0.21  1.0
  Ni  Ni3  1  0.85  0.37  0.88  1.0
  Ni  Ni4  1  0.99  0.59  0.21  1.0
  Ni  Ni5  1  0.7  0.41  0.21  1.0
  Ni  Ni6  1  0.85  0.0  0.0  1.0
  Ni  Ni7  1  0.05  0.3  0.49  1.0
  Ni  Ni8  1  0.05  0.7  0.49  1.0
  Ni  Ni9  1  0.85  0.63  0.12  1.0
  Ni  Ni10  1  0.64  0.7  0.51  1.0
  Ni  Ni11  1  0.05  0.3  0.51  1.0
  Ni  Ni12  1  0.85  0.37  0.12  1.0
  Ni  Ni13  1  0.05  0.7  0.51  1.0
  Ni  Ni14  1  0.64  0.3  0.51  1.0
  Ni  Ni15  1  0.85  0.0  0.5  1.0
  Ni  Ni16  1  0.99  0.41  0.79  1.0
  Ni  Ni17  1  0.99  0.59  0.79  1.0
  Ni  Ni18  1  0.0  0.0  0.0  1.0
  Ni  Ni19  1  0.64  0.3  0.49  1.0
  Ni  Ni20  1  0.64  0.7  0.49  1.0
  Ni  Ni21  1  0.0  0.0  0.5  1.0
  Ni  Ni22  1  0.7  0.41  0.79  1.0
  Ni  Ni23  1  0.7  0.59  0.79  1.0

data_SrZrNi6
_symmetry_space_group_name_H-M   Pm
_cell_length_a   6.68
_cell_length_b   11.0
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   109.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrZrNi6
_chemical_formula_sum   'Sr4 Zr4 Ni24'
_cell_volume   462.48
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Sr  Sr0  2  0.0  0.2  0.0  1.0
  Sr  Sr1  1  0.85  0.0  0.2  1.0
  Sr  Sr2  1  0.85  0.0  0.8  1.0
  Zr  Zr3  2  0.85  0.17  0.0  1.0
  Zr  Zr4  1  0.85  0.5  0.25  1.0
  Zr  Zr5  1  0.85  0.5  0.75  1.0
  Ni  Ni6  2  0.05  0.49  0.3  1.0
  Ni  Ni7  2  0.05  0.49  0.7  1.0
  Ni  Ni8  2  0.64  0.49  0.3  1.0
  Ni  Ni9  2  0.64  0.49  0.7  1.0
  Ni  Ni10  2  0.7  0.21  0.41  1.0
  Ni  Ni11  2  0.7  0.21  0.59  1.0
  Ni  Ni12  2  0.85  0.12  0.37  1.0
  Ni  Ni13  2  0.85  0.12  0.63  1.0
  Ni  Ni14  2  0.99  0.21  0.41  1.0
  Ni  Ni15  2  0.99  0.21  0.59  1.0
  Ni  Ni16  1  0.0  0.0  0.0  1.0
  Ni  Ni17  1  0.0  0.5  0.0  1.0
  Ni  Ni18  1  0.85  0.0  0.0  1.0
  Ni  Ni19  1  0.85  0.5  0.0  1.0

Sr Sr Sr Sr Zr Zr Zr Zr Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni Ni