data_Sc2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.47
_cell_length_b   5.47
_cell_length_c   5.47
_cell_angle_alpha   145.19
_cell_angle_beta   131.8
_cell_angle_gamma   60.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuOs
_chemical_formula_sum   'Sc2 Cu1 Os1'
_cell_volume   68.84
_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  Sc2  1  0.0  0.0  0.22  1.0
  Sc  Sc3  1  0.64  0.0  0.48  1.0
  Cu  Cu0  1  0.0  0.0  0.91  1.0
  Os  Os1  1  0.0  0.23  0.26  1.0

data_Sc2CuOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.46
_cell_length_c   5.47
_cell_angle_alpha   114.1
_cell_angle_beta   107.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuOs
_chemical_formula_sum   'Sc2 Cu1 Os1'
_cell_volume   68.84
_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  0.16  0.52  0.16  1.0
  Sc  Sc1  1  0.78  0.78  0.78  1.0
  Cu  Cu2  1  0.09  0.09  0.09  1.0
  Os  Os3  1  0.74  0.98  0.98  1.0

Sc Sc Cu Os