data_ScCuSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   141.22
_cell_angle_beta   128.95
_cell_angle_gamma   65.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSi
_chemical_formula_sum   'Sc1 Cu1 Si1'
_cell_volume   49.49
_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  Sc1  1  0.0  0.0  0.6  1.0
  Cu  Cu0  1  0.0  0.0  0.82  1.0
  Si  Si2  1  0.0  0.0  0.31  1.0

data_ScCuSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.04
_cell_length_c   4.69
_cell_angle_alpha   115.52
_cell_angle_beta   109.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCuSi
_chemical_formula_sum   'Sc1 Cu1 Si1'
_cell_volume   49.49
_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  0.4  0.4  0.4  1.0
  Cu  Cu1  1  0.18  0.18  0.18  1.0
  Si  Si2  1  0.69  0.69  0.69  1.0

Sc Cu Si