data_Sc2InCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   4.93
_cell_angle_alpha   111.1
_cell_angle_beta   111.1
_cell_angle_gamma   30.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InCl
_chemical_formula_sum   'Sc2 In1 Cl1'
_cell_volume   91.27
_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
  Sc  Sc2  1  0.31  0.0  0.21  1.0
  Sc  Sc3  1  0.91  0.0  0.27  1.0
  In  In1  1  0.44  0.0  0.37  1.0
  Cl  Cl0  1  0.78  0.0  0.01  1.0

data_Sc2InCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.93
_cell_length_c   6.29
_cell_angle_alpha   111.1
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InCl
_chemical_formula_sum   'Sc2 In1 Cl1'
_cell_volume   91.27
_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
  Sc  Sc0  1  0.0  0.21  0.31  1.0
  Sc  Sc1  1  0.0  0.27  0.91  1.0
  In  In2  1  0.0  0.37  0.44  1.0
  Cl  Cl3  1  0.0  0.01  0.78  1.0

Sc Sc In Cl
Sc Sc In Cl 0 2 o o o 1 3 o o o 