data_CoCu2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   4.25
_cell_length_c   2.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   113.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2B
_chemical_formula_sum   'Co1 Cu2 B1'
_cell_volume   41.54
_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
  Co  Co1  1  0.32  0.0  0.0  1.0
  Cu  Cu2  1  0.16  0.22  0.26  1.0
  Cu  Cu3  1  0.16  0.78  0.26  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_CoCu2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.25
_cell_length_c   4.25
_cell_angle_alpha   113.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCu2B
_chemical_formula_sum   'Co1 Cu2 B1'
_cell_volume   41.54
_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
  Co  Co0  1  0.0  0.32  0.0  1.0
  Cu  Cu1  1  0.26  0.16  0.78  1.0
  Cu  Cu2  1  0.26  0.16  0.22  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Co Cu Cu B