data_Sc2AsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   5.39
_cell_length_c   3.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AsCl
_chemical_formula_sum   'Sc2 As1 Cl1'
_cell_volume   78.71
_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  0.36  0.69  0.46  1.0
  Sc  Sc3  1  0.37  0.0  0.42  1.0
  As  As0  1  0.45  0.69  0.39  1.0
  Cl  Cl1  1  0.29  0.0  0.5  1.0

data_Sc2AsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   3.85
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2AsCl
_chemical_formula_sum   'Sc2 As1 Cl1'
_cell_volume   78.71
_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  0.63  0.58  0.0  1.0
  Sc  Sc1  1  0.64  0.54  0.31  1.0
  As  As2  1  0.55  0.61  0.31  1.0
  Cl  Cl3  1  0.71  0.5  0.0  1.0

Sc Sc As Cl