data_Sc2SeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.32
_cell_length_b   7.32
_cell_length_c   3.6
_cell_angle_alpha   91.52
_cell_angle_beta   91.52
_cell_angle_gamma   28.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SeCl
_chemical_formula_sum   'Sc2 Se1 Cl1'
_cell_volume   91.87
_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  0.76  0.0  0.12  1.0
  Sc  Sc2  1  0.77  0.0  0.38  1.0
  Se  Se3  1  1.0  0.0  0.3  1.0
  Cl  Cl0  1  0.51  0.0  0.2  1.0

data_Sc2SeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.32
_cell_angle_alpha   91.52
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SeCl
_chemical_formula_sum   'Sc2 Se1 Cl1'
_cell_volume   91.87
_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  0.0  0.12  0.76  1.0
  Sc  Sc1  1  0.0  0.38  0.77  1.0
  Se  Se2  1  0.0  0.3  1.0  1.0
  Cl  Cl3  1  0.0  0.2  0.51  1.0

Sc Sc Se Cl