data_ScTePd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   49.18
_cell_angle_beta   49.18
_cell_angle_gamma   49.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTePd2
_chemical_formula_sum   'Sc1 Te1 Pd2'
_cell_volume   78.21
_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  0.81  1.0
  Te  Te3  1  0.0  0.0  0.64  1.0
  Pd  Pd0  1  0.0  0.0  0.05  1.0
  Pd  Pd1  1  0.0  0.0  0.4  1.0

data_ScTePd2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.64
_cell_length_b   4.41
_cell_length_c   5.3
_cell_angle_alpha   90.0
_cell_angle_beta   118.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScTePd2
_chemical_formula_sum   'Sc2 Te2 Pd4'
_cell_volume   156.41
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.81  1.0
  Te  Te1  2  0.0  0.0  0.64  1.0
  Pd  Pd2  2  0.0  0.0  0.05  1.0
  Pd  Pd3  2  0.0  0.0  0.4  1.0

Sc Te Pd Pd