data_ZnCoB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoB2
_chemical_formula_sum   'Zn1 Co1 B2'
_cell_volume   36.62
_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  0.0  0.7  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  B  B0  1  0.77  0.0  0.36  1.0
  B  B1  1  0.77  0.0  0.04  1.0

data_ZnCoB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.61
_cell_length_b   2.61
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCoB2
_chemical_formula_sum   'Zn1 Co1 B2'
_cell_volume   36.62
_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  0.0  0.0  0.7  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  B  B2  1  0.77  0.0  0.04  1.0
  B  B3  1  0.77  0.0  0.36  1.0

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