data_ScCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2Os
_chemical_formula_sum   'Sc1 Cu2 Os1'
_cell_volume   58.33
_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
  Sc  Sc3  1  0.0  0.0  0.63  1.0
  Cu  Cu0  1  0.07  0.0  0.16  1.0
  Cu  Cu1  1  0.0  0.0  0.9  1.0
  Os  Os2  1  0.07  0.0  0.36  1.0

data_ScCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   6.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2Os
_chemical_formula_sum   'Sc1 Cu2 Os1'
_cell_volume   58.33
_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
  Sc  Sc0  1  0.0  0.0  0.63  1.0
  Cu  Cu1  1  0.0  0.0  0.9  1.0
  Cu  Cu2  1  0.07  0.0  0.16  1.0
  Os  Os3  1  0.07  0.0  0.36  1.0

Sc Cu Cu Os