data_ScCr2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   142.95
_cell_angle_beta   127.95
_cell_angle_gamma   65.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Ga
_chemical_formula_sum   'Sc1 Cr2 Ga1'
_cell_volume   59.79
_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  Sc3  1  0.0  0.0  0.48  1.0
  Cr  Cr0  1  0.6  0.0  0.24  1.0
  Cr  Cr1  1  0.0  0.0  0.86  1.0
  Ga  Ga2  1  0.6  0.0  0.11  1.0

data_ScCr2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.42
_cell_length_c   5.03
_cell_angle_alpha   116.03
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCr2Ga
_chemical_formula_sum   'Sc1 Cr2 Ga1'
_cell_volume   59.79
_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  0.48  0.48  1.0
  Cr  Cr1  1  0.0  0.24  0.65  1.0
  Cr  Cr2  1  0.0  0.86  0.86  1.0
  Ga  Ga3  1  0.0  0.11  0.51  1.0

Sc Cr Cr Ga