data_Cu2NiOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.46
_cell_length_b   4.46
_cell_length_c   4.59
_cell_angle_alpha   98.25
_cell_angle_beta   98.25
_cell_angle_gamma   33.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiOs
_chemical_formula_sum   'Cu2 Ni1 Os1'
_cell_volume   49.46
_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  0.33  0.0  0.47  1.0
  Cu  Cu1  1  0.6  0.0  0.46  1.0
  Ni  Ni2  1  0.93  0.0  0.19  1.0
  Os  Os3  1  0.25  0.0  0.23  1.0

data_Cu2NiOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.46
_cell_length_c   4.59
_cell_angle_alpha   98.25
_cell_angle_beta   90.0
_cell_angle_gamma   106.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiOs
_chemical_formula_sum   'Cu2 Ni1 Os1'
_cell_volume   49.46
_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  0.4  0.54  1.0
  Cu  Cu1  1  0.0  0.67  0.53  1.0
  Ni  Ni2  1  0.0  0.07  0.81  1.0
  Os  Os3  1  0.0  0.75  0.77  1.0

Cu Cu Ni Os