data_ZnCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   4.28
_cell_angle_alpha   133.38
_cell_angle_beta   133.38
_cell_angle_gamma   68.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2B
_chemical_formula_sum   'Zn1 Co2 B1'
_cell_volume   40.63
_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  0.69  0.77  1.0
  Co  Co1  1  0.69  0.0  0.77  1.0
  Co  Co2  1  0.0  0.0  0.55  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ZnCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   3.39
_cell_length_c   4.28
_cell_angle_alpha   113.31
_cell_angle_beta   113.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2B
_chemical_formula_sum   'Zn1 Co2 B1'
_cell_volume   40.63
_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  0.69  0.92  1.0
  Co  Co1  1  0.23  0.0  0.92  1.0
  Co  Co2  1  0.45  0.0  0.45  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Zn Co Co B
Zn Co Co B 0 3 o + + 0 2 o o o 0 2 o + o 1 3 + o + 1 2 + o o 1 2 o o o 2 3 o o o 2 3 o o + 