data_ScNi2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   2.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Os
_chemical_formula_sum   'Sc1 Ni2 Os1'
_cell_volume   54.03
_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
  Ni  Ni0  1  0.35  0.86  0.35  1.0
  Ni  Ni1  1  0.35  0.14  0.35  1.0
  Os  Os2  1  0.7  0.0  0.0  1.0

data_ScNi2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.59
_cell_length_c   4.59
_cell_angle_alpha   107.9
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi2Os
_chemical_formula_sum   'Sc1 Ni2 Os1'
_cell_volume   54.03
_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
  Ni  Ni1  1  0.35  0.35  0.14  1.0
  Ni  Ni2  1  0.35  0.35  0.86  1.0
  Os  Os3  1  0.0  0.7  0.0  1.0

Sc Ni Ni Os