data_LaSc2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   6.06
_cell_angle_alpha   107.67
_cell_angle_beta   107.67
_cell_angle_gamma   32.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Cl
_chemical_formula_sum   'La1 Sc2 Cl1'
_cell_volume   108.27
_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
  La  La1  1  0.06  0.0  0.16  1.0
  Sc  Sc2  1  0.13  0.0  0.56  1.0
  Sc  Sc3  1  0.34  0.0  0.39  1.0
  Cl  Cl0  1  0.52  0.0  0.51  1.0

data_LaSc2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   5.88
_cell_length_c   6.06
_cell_angle_alpha   107.67
_cell_angle_beta   90.0
_cell_angle_gamma   106.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaSc2Cl
_chemical_formula_sum   'La1 Sc2 Cl1'
_cell_volume   108.27
_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
  La  La0  1  0.0  0.94  0.84  1.0
  Sc  Sc1  1  0.0  0.66  0.61  1.0
  Sc  Sc2  1  0.0  0.87  0.44  1.0
  Cl  Cl3  1  0.0  0.48  0.49  1.0

La Sc Sc Cl