data_Sc2TePd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TePd
_chemical_formula_sum   'Sc2 Te1 Pd1'
_cell_volume   83.27
_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  0.65  0.76  0.8  1.0
  Sc  Sc2  1  0.65  0.24  0.8  1.0
  Te  Te3  1  0.3  0.0  0.0  1.0
  Pd  Pd0  1  0.0  0.0  0.0  1.0

data_Sc2TePd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   93.62
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TePd
_chemical_formula_sum   'Sc2 Te1 Pd1'
_cell_volume   83.27
_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  0.8  0.65  0.24  1.0
  Sc  Sc1  1  0.8  0.65  0.76  1.0
  Te  Te2  1  0.0  0.3  0.0  1.0
  Pd  Pd3  1  0.0  0.0  0.0  1.0

Sc Sc Te Pd