data_Y5Sc5Si6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   119.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Sc5Si6
_chemical_formula_sum   'Y5 Sc5 Si6'
_cell_volume   354.64
_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
  Y  Y0  1  0.0  0.36  0.15  1.0
  Y  Y1  1  0.0  0.64  0.15  1.0
  Y  Y2  1  0.01  0.0  0.06  1.0
  Y  Y3  1  0.01  0.74  0.25  1.0
  Y  Y4  1  0.01  0.26  0.25  1.0
  Sc  Sc5  1  0.5  0.64  0.15  1.0
  Sc  Sc6  1  0.5  0.36  0.15  1.0
  Sc  Sc7  1  0.52  0.36  0.15  1.0
  Sc  Sc8  1  0.52  0.64  0.15  1.0
  Sc  Sc9  1  0.0  0.0  0.2  1.0
  Si  Si10  1  0.0  0.0  0.34  1.0
  Si  Si11  1  0.0  0.77  0.6  1.0
  Si  Si12  1  0.0  0.23  0.6  1.0
  Si  Si13  1  0.01  0.0  0.97  1.0
  Si  Si14  1  0.01  0.28  0.77  1.0
  Si  Si15  1  0.01  0.72  0.77  1.0

data_Y5Sc5Si6
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.03
_cell_length_b   8.23
_cell_length_c   8.23
_cell_angle_alpha   119.65
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y5Sc5Si6
_chemical_formula_sum   'Y5 Sc5 Si6'
_cell_volume   354.64
_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
  Y  Y0  1  0.0  0.64  0.15  1.0
  Y  Y1  1  0.0  0.36  0.15  1.0
  Y  Y2  1  0.01  0.0  0.06  1.0
  Y  Y3  1  0.01  0.26  0.25  1.0
  Y  Y4  1  0.01  0.74  0.25  1.0
  Sc  Sc5  1  0.0  0.0  0.2  1.0
  Sc  Sc6  1  0.5  0.36  0.15  1.0
  Sc  Sc7  1  0.5  0.64  0.15  1.0
  Sc  Sc8  1  0.52  0.36  0.15  1.0
  Sc  Sc9  1  0.52  0.64  0.15  1.0
  Si  Si10  1  0.0  0.0  0.34  1.0
  Si  Si11  1  0.0  0.23  0.6  1.0
  Si  Si12  1  0.0  0.77  0.6  1.0
  Si  Si13  1  0.01  0.0  0.97  1.0
  Si  Si14  1  0.01  0.28  0.77  1.0
  Si  Si15  1  0.01  0.72  0.77  1.0

Y Y Y Y Y Sc Sc Sc Sc Sc Si Si Si Si Si Si