data_CrCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.45
_cell_angle_alpha   99.36
_cell_angle_beta   99.36
_cell_angle_gamma   32.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Os
_chemical_formula_sum   'Cr1 Cu2 Os1'
_cell_volume   50.89
_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  0.0  1.0
  Cu  Cu1  1  0.66  0.0  0.3  1.0
  Cu  Cu2  1  0.51  0.0  0.08  1.0
  Os  Os3  1  0.08  0.0  0.19  1.0

data_CrCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.6
_cell_length_b   4.45
_cell_length_c   4.65
_cell_angle_alpha   99.36
_cell_angle_beta   106.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCu2Os
_chemical_formula_sum   'Cr1 Cu2 Os1'
_cell_volume   50.89
_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  0.0  1.0
  Cu  Cu1  1  0.0  0.08  0.51  1.0
  Cu  Cu2  1  0.0  0.3  0.66  1.0
  Os  Os3  1  0.0  0.19  0.08  1.0

Cr Cu Cu Os