data_ZrNi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.8
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   103.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Sb
_chemical_formula_sum   'Zr1 Ni2 Sb1'
_cell_volume   69.48
_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  0.0  0.0  0.0  1.0
  Ni  Ni0  1  0.62  0.9  0.24  1.0
  Ni  Ni1  1  0.15  0.9  0.49  1.0
  Sb  Sb2  1  0.88  0.0  0.87  1.0

data_ZrNi2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.8
_cell_length_c   5.91
_cell_angle_alpha   90.0
_cell_angle_beta   103.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2Sb
_chemical_formula_sum   'Zr1 Ni2 Sb1'
_cell_volume   69.48
_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  0.0  1.0
  Ni  Ni1  1  0.15  0.9  0.49  1.0
  Ni  Ni2  1  0.62  0.9  0.24  1.0
  Sb  Sb3  1  0.88  0.0  0.87  1.0

Zr Ni Ni Sb