data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.44
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr1 Ni3'
_cell_volume   53.94
_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  Zr3  1  0.95  0.0  0.64  1.0
  Ni  Ni0  1  0.37  0.72  0.07  1.0
  Ni  Ni1  1  0.5  0.72  0.21  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_ZrNi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   3.44
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   91.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr1 Ni3'
_cell_volume   53.94
_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  0.95  0.0  0.64  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.37  0.72  0.07  1.0
  Ni  Ni3  1  0.5  0.72  0.21  1.0

Zr Ni Ni Ni