data_Cu2BOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   4.17
_cell_length_c   4.69
_cell_angle_alpha   115.17
_cell_angle_beta   115.17
_cell_angle_gamma   39.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BOs
_chemical_formula_sum   'Cu2 B1 Os1'
_cell_volume   46.0
_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
  Cu  Cu1  1  0.31  0.0  0.16  1.0
  Cu  Cu2  1  0.48  0.0  0.11  1.0
  B  B0  1  1.0  0.0  0.57  1.0
  Os  Os3  1  0.69  0.0  0.62  1.0

data_Cu2BOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.17
_cell_length_c   4.69
_cell_angle_alpha   115.17
_cell_angle_beta   90.0
_cell_angle_gamma   109.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2BOs
_chemical_formula_sum   'Cu2 B1 Os1'
_cell_volume   46.0
_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
  Cu  Cu0  1  0.0  0.52  0.89  1.0
  Cu  Cu1  1  0.0  0.69  0.84  1.0
  B  B2  1  0.0  0.0  0.43  1.0
  Os  Os3  1  0.0  0.31  0.38  1.0

Cu Cu B Os