data_Zn2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   132.12
_cell_angle_beta   131.1
_cell_angle_gamma   70.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2NiSb
_chemical_formula_sum   'Zn2 Ni1 Sb1'
_cell_volume   65.4
_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
  Zn  Zn2  1  0.0  0.0  0.02  1.0
  Zn  Zn3  1  1.0  0.0  0.08  1.0
  Ni  Ni0  1  0.0  0.0  0.98  1.0
  Sb  Sb1  1  0.0  0.04  0.96  1.0

data_Zn2NiSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.08
_cell_length_c   4.93
_cell_angle_alpha   114.45
_cell_angle_beta   113.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2NiSb
_chemical_formula_sum   'Zn2 Ni1 Sb1'
_cell_volume   65.4
_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
  Zn  Zn0  1  0.92  0.92  0.92  1.0
  Zn  Zn1  1  0.98  0.98  0.98  1.0
  Ni  Ni2  1  0.02  0.02  0.02  1.0
  Sb  Sb3  1  0.04  0.08  0.08  1.0

Zn Zn Ni Sb