data_ScCdAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.87
_cell_length_b   5.87
_cell_length_c   5.87
_cell_angle_alpha   140.62
_cell_angle_beta   140.58
_cell_angle_gamma   56.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdAs2
_chemical_formula_sum   'Sc1 Cd1 As2'
_cell_volume   80.72
_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  Sc3  1  0.0  0.0  0.71  1.0
  Cd  Cd2  1  0.98  0.0  0.14  1.0
  As  As0  1  0.98  0.0  0.04  1.0
  As  As1  1  0.0  0.0  0.58  1.0

data_ScCdAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.96
_cell_length_c   5.87
_cell_angle_alpha   109.71
_cell_angle_beta   109.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCdAs2
_chemical_formula_sum   'Sc1 Cd1 As2'
_cell_volume   80.72
_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  0.29  0.29  0.29  1.0
  Cd  Cd1  1  0.84  0.86  0.84  1.0
  As  As2  1  0.42  0.42  0.42  1.0
  As  As3  1  0.94  0.96  0.94  1.0

Sc Cd As As