data_Sc2GaTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   7.36
_cell_angle_alpha   104.49
_cell_angle_beta   104.49
_cell_angle_gamma   58.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaTe
_chemical_formula_sum   'Sc2 Ga1 Te1'
_cell_volume   92.78
_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  0.13  0.0  0.4  1.0
  Sc  Sc2  1  0.61  0.0  0.65  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.37  0.0  0.53  1.0

data_Sc2GaTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.84
_cell_length_b   3.93
_cell_length_c   7.36
_cell_angle_alpha   104.49
_cell_angle_beta   90.0
_cell_angle_gamma   119.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2GaTe
_chemical_formula_sum   'Sc2 Ga1 Te1'
_cell_volume   92.78
_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  0.39  0.35  1.0
  Sc  Sc1  1  0.0  0.87  0.6  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.63  0.47  1.0

Sc Sc Ga Te
Sc Sc Ga Te 0 3 o o o 0 2 o o o 1 3 o o o 1 2 + o + 