data_Sc2CrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.15
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   35.98
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrGa
_chemical_formula_sum   'Sc2 Cr1 Ga1'
_cell_volume   74.42
_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  Sc2  1  0.0  0.0  0.29  1.0
  Sc  Sc3  1  0.07  0.0  0.6  1.0
  Cr  Cr0  1  0.0  0.0  0.21  1.0
  Ga  Ga1  1  0.07  0.0  0.63  1.0

data_Sc2CrGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   4.15
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrGa
_chemical_formula_sum   'Sc2 Cr1 Ga1'
_cell_volume   74.42
_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  0.07  0.4  1.0
  Sc  Sc1  1  0.71  0.0  0.71  1.0
  Cr  Cr2  1  0.79  0.0  0.79  1.0
  Ga  Ga3  1  0.37  0.07  0.37  1.0

Sc Sc Cr Ga