data_Sc2Co3Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co3Si
_chemical_formula_sum   'Sc4 Co6 Si2'
_cell_volume   163.23
_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  Sc6  1  0.0  0.9  0.2  1.0
  Sc  Sc7  1  0.51  0.45  0.45  1.0
  Sc  Sc8  1  0.51  0.45  0.29  1.0
  Sc  Sc9  1  0.0  0.9  0.03  1.0
  Co  Co0  1  0.78  0.6  0.87  1.0
  Co  Co1  1  0.0  0.48  0.87  1.0
  Co  Co2  1  0.22  0.6  0.87  1.0
  Co  Co3  1  0.73  0.74  0.62  1.0
  Co  Co4  1  0.51  0.86  0.62  1.0
  Co  Co5  1  0.29  0.74  0.62  1.0
  Si  Si10  1  0.0  0.0  0.74  1.0
  Si  Si11  1  0.0  0.0  0.0  1.0

data_Sc2Co3Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.02
_cell_length_b   5.02
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Co3Si
_chemical_formula_sum   'Sc4 Co6 Si2'
_cell_volume   163.23
_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  Sc0  1  -0.0  0.9  0.03  1.0
  Sc  Sc1  1  -0.0  0.9  0.2  1.0
  Sc  Sc2  1  0.51  0.45  0.29  1.0
  Sc  Sc3  1  0.51  0.45  0.45  1.0
  Co  Co4  1  -0.0  0.48  0.87  1.0
  Co  Co5  1  0.22  0.6  0.87  1.0
  Co  Co6  1  0.29  0.74  0.62  1.0
  Co  Co7  1  0.51  0.86  0.62  1.0
  Co  Co8  1  0.73  0.74  0.62  1.0
  Co  Co9  1  0.78  0.6  0.87  1.0
  Si  Si10  1  0.0  0.0  0.0  1.0
  Si  Si11  1  0.0  0.0  0.74  1.0

Sc Sc Sc Sc Co Co Co Co Co Co Si Si