data_CrCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   133.52
_cell_angle_beta   129.39
_cell_angle_gamma   71.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Os
_chemical_formula_sum   'Cr1 Cu2 Os1'
_cell_volume   49.95
_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
  Cr  Cr0  1  0.0  0.0  0.46  1.0
  Cu  Cu1  1  0.77  0.0  0.01  1.0
  Cu  Cu2  1  0.0  0.0  0.81  1.0
  Os  Os3  1  0.0  0.92  0.04  1.0

data_CrCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   3.85
_cell_length_c   4.5
_cell_angle_alpha   115.3
_cell_angle_beta   113.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Os
_chemical_formula_sum   'Cr1 Cu2 Os1'
_cell_volume   49.95
_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
  Cr  Cr0  1  0.54  0.54  0.54  1.0
  Cu  Cu1  1  0.19  0.19  0.19  1.0
  Cu  Cu2  1  0.76  0.99  0.76  1.0
  Os  Os3  1  0.96  0.89  0.89  1.0

Cr Cu Cu Os