data_HfScAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   149.96
_cell_angle_beta   149.91
_cell_angle_gamma   43.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScAs2
_chemical_formula_sum   'Hf1 Sc1 As2'
_cell_volume   82.48
_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
  Hf  Hf2  1  0.79  0.0  0.82  1.0
  Sc  Sc3  1  0.0  0.0  0.11  1.0
  As  As0  1  0.79  0.0  0.54  1.0
  As  As1  1  0.0  0.0  0.8  1.0

data_HfScAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.59
_cell_length_c   6.91
_cell_angle_alpha   105.04
_cell_angle_beta   105.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfScAs2
_chemical_formula_sum   'Hf1 Sc1 As2'
_cell_volume   82.48
_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
  Hf  Hf0  1  0.97  0.18  0.97  1.0
  Sc  Sc1  1  0.89  0.89  0.89  1.0
  As  As2  1  0.2  0.2  0.2  1.0
  As  As3  1  0.25  0.46  0.25  1.0

Hf Sc As As
Hf Sc As As 0 1 + o + 2 3 + o o 