data_BaZn2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   121.48
_cell_angle_beta   121.48
_cell_angle_gamma   87.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Ni
_chemical_formula_sum   'Ba1 Zn2 Ni1'
_cell_volume   88.31
_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
  Ba  Ba0  1  0.0  0.46  0.82  1.0
  Zn  Zn2  1  0.46  0.0  0.82  1.0
  Zn  Zn3  1  0.0  0.0  0.64  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0

data_BaZn2Ni
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   5.04
_cell_angle_alpha   119.26
_cell_angle_beta   119.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Ni
_chemical_formula_sum   'Ba1 Zn2 Ni1'
_cell_volume   88.31
_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
  Ba  Ba0  1  0.64  0.46  0.64  1.0
  Zn  Zn1  1  0.18  0.0  0.64  1.0
  Zn  Zn2  1  0.36  0.0  0.36  1.0
  Ni  Ni3  1  0.0  0.0  0.0  1.0

Ba Zn Zn Ni