data_ZrNi7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.4
_cell_length_c   2.46
_cell_angle_alpha   95.6
_cell_angle_beta   95.6
_cell_angle_gamma   145.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi7
_chemical_formula_sum   'Zr1 Ni7'
_cell_volume   91.63
_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  0.46  0.0  0.0  1.0
  Ni  Ni0  1  0.28  0.01  0.16  1.0
  Ni  Ni1  1  0.46  0.98  0.0  1.0
  Ni  Ni2  1  0.28  0.99  0.16  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0
  Ni  Ni4  1  0.82  0.01  0.16  1.0
  Ni  Ni5  1  0.46  0.02  0.0  1.0
  Ni  Ni6  1  0.82  0.99  0.16  1.0

data_ZrNi7
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.46
_cell_length_b   4.71
_cell_length_c   8.4
_cell_angle_alpha   104.76
_cell_angle_beta   95.6
_cell_angle_gamma   100.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi7
_chemical_formula_sum   'Zr1 Ni7'
_cell_volume   91.63
_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  0.0  0.46  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.02  0.02  0.48  1.0
  Ni  Ni3  1  0.15  0.99  0.27  1.0
  Ni  Ni4  1  0.15  0.99  0.81  1.0
  Ni  Ni5  1  0.17  0.01  0.29  1.0
  Ni  Ni6  1  0.17  0.01  0.83  1.0
  Ni  Ni7  1  0.98  0.98  0.44  1.0

Zr Ni Ni Ni Ni Ni Ni Ni