data_ScGaSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   3.99
_cell_angle_alpha   111.99
_cell_angle_beta   111.99
_cell_angle_gamma   42.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaSi2
_chemical_formula_sum   'Sc1 Ga1 Si2'
_cell_volume   65.71
_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  0.29  0.0  0.81  1.0
  Ga  Ga0  1  0.02  0.0  0.81  1.0
  Si  Si2  1  0.52  0.0  0.65  1.0
  Si  Si3  1  0.63  0.0  0.86  1.0

data_ScGaSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.99
_cell_length_c   5.17
_cell_angle_alpha   111.99
_cell_angle_beta   111.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGaSi2
_chemical_formula_sum   'Sc1 Ga1 Si2'
_cell_volume   65.71
_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  0.81  0.29  1.0
  Ga  Ga1  1  0.0  0.81  0.02  1.0
  Si  Si2  1  0.0  0.65  0.52  1.0
  Si  Si3  1  0.0  0.86  0.63  1.0

Sc Ga Si Si
Sc Ga Si Si 0 1 o o o 0 2 o o o 2 3 o o o 