data_Sc2Si3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.87
_cell_length_b   15.87
_cell_length_c   15.87
_cell_angle_alpha   166.44
_cell_angle_beta   166.44
_cell_angle_gamma   19.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Si3Ni
_chemical_formula_sum   'Sc4 Si6 Ni2'
_cell_volume   219.73
_cell_formula_units_Z   2
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  0.87  0.0  0.82  1.0
  Sc  Sc3  1  0.0  0.87  0.82  1.0
  Sc  Sc4  1  0.0  0.0  0.77  1.0
  Sc  Sc5  1  0.0  0.0  0.53  1.0
  Si  Si6  1  0.0  0.0  0.42  1.0
  Si  Si7  1  0.0  0.0  0.87  1.0
  Si  Si8  1  0.87  0.0  0.47  1.0
  Si  Si9  1  0.0  0.87  0.47  1.0
  Si  Si10  1  0.0  0.87  0.18  1.0
  Si  Si11  1  0.87  0.0  0.18  1.0
  Ni  Ni0  1  0.0  0.0  0.55  1.0
  Ni  Ni1  1  0.0  0.0  0.75  1.0

data_Sc2Si3Ni
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   15.87
_cell_angle_alpha   90.0
_cell_angle_beta   99.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2Si3Ni
_chemical_formula_sum   'Sc8 Si12 Ni4'
_cell_volume   439.45
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.44  0.44  0.05  1.0
  Sc  Sc1  2  0.0  0.0  0.23  1.0
  Sc  Sc2  2  0.0  0.0  0.47  1.0
  Si  Si3  4  0.44  0.44  0.41  1.0
  Si  Si4  4  0.44  0.44  0.69  1.0
  Si  Si5  2  0.0  0.0  0.13  1.0
  Si  Si6  2  0.0  0.0  0.58  1.0
  Ni  Ni7  2  0.0  0.0  0.25  1.0
  Ni  Ni8  2  0.0  0.0  0.45  1.0

Sc Sc Sc Sc Si Si Si Si Si Si Ni Ni