data_Sc2TaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.22
_cell_angle_alpha   102.1
_cell_angle_beta   102.1
_cell_angle_gamma   35.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaGe
_chemical_formula_sum   'Sc2 Ta1 Ge1'
_cell_volume   77.78
_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  0.66  0.0  0.87  1.0
  Sc  Sc2  1  0.03  0.0  0.22  1.0
  Ta  Ta3  1  0.35  0.0  0.55  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Sc2TaGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   5.16
_cell_length_c   5.22
_cell_angle_alpha   102.1
_cell_angle_beta   90.0
_cell_angle_gamma   107.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TaGe
_chemical_formula_sum   'Sc2 Ta1 Ge1'
_cell_volume   77.78
_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  0.34  0.13  1.0
  Sc  Sc1  1  0.0  0.97  0.78  1.0
  Ta  Ta2  1  0.0  0.65  0.45  1.0
  Ge  Ge3  1  0.0  0.0  0.0  1.0

Sc Sc Ta Ge