data_ScCr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   145.49
_cell_angle_beta   130.35
_cell_angle_gamma   61.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Os
_chemical_formula_sum   'Sc1 Cr2 Os1'
_cell_volume   57.19
_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  0.0  1.0
  Cr  Cr0  1  0.52  0.0  0.28  1.0
  Cr  Cr1  1  0.0  0.15  0.11  1.0
  Os  Os2  1  0.0  0.0  0.39  1.0

data_ScCr2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.3
_cell_length_c   5.12
_cell_angle_alpha   114.83
_cell_angle_beta   107.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Os
_chemical_formula_sum   'Sc1 Cr2 Os1'
_cell_volume   57.19
_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  0.0  1.0
  Cr  Cr1  1  0.0  0.28  0.76  1.0
  Cr  Cr2  1  0.85  0.96  0.96  1.0
  Os  Os3  1  0.0  0.39  0.39  1.0

Sc Cr Cr Os