data_Zn2Ni2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.66
_cell_length_b   6.66
_cell_length_c   6.66
_cell_angle_alpha   152.53
_cell_angle_beta   152.53
_cell_angle_gamma   39.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ni2B
_chemical_formula_sum   'Zn2 Ni2 B1'
_cell_volume   62.68
_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  Zn3  1  0.0  0.58  0.14  1.0
  Zn  Zn4  1  0.58  0.0  0.14  1.0
  Ni  Ni1  1  0.0  0.0  0.38  1.0
  Ni  Ni2  1  0.0  0.0  0.17  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Zn2Ni2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   109.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zn2Ni2B
_chemical_formula_sum   'Zn4 Ni4 B2'
_cell_volume   125.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.35  0.21  0.55  1.0
  Ni  Ni1  2  0.17  0.0  0.17  1.0
  Ni  Ni2  2  0.38  0.0  0.38  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Zn Zn Ni Ni B