data_YSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   149.72
_cell_angle_beta   127.17
_cell_angle_gamma   62.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cl
_chemical_formula_sum   'Y1 Sc2 Cl1'
_cell_volume   95.71
_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
  Y  Y3  1  0.0  0.0  0.33  1.0
  Sc  Sc1  1  0.0  0.77  0.04  1.0
  Sc  Sc2  1  0.62  0.0  0.28  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_YSc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   5.53
_cell_length_c   6.22
_cell_angle_alpha   116.41
_cell_angle_beta   105.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YSc2Cl
_chemical_formula_sum   'Y1 Sc2 Cl1'
_cell_volume   95.71
_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
  Y  Y0  1  0.67  0.67  0.67  1.0
  Sc  Sc1  1  0.34  0.72  0.34  1.0
  Sc  Sc2  1  0.96  0.72  0.72  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Y Sc Sc Cl