data_Sc2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.18
_cell_length_b   4.63
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrCl
_chemical_formula_sum   'Sc2 Cr1 Cl1'
_cell_volume   77.96
_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  0.0  0.0  0.74  1.0
  Sc  Sc3  1  0.59  0.32  0.84  1.0
  Cr  Cr1  1  0.59  0.32  0.57  1.0
  Cl  Cl0  1  0.0  0.0  0.07  1.0

data_Sc2CrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.63
_cell_length_c   5.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CrCl
_chemical_formula_sum   'Sc2 Cr1 Cl1'
_cell_volume   77.96
_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  0.0  0.74  1.0
  Sc  Sc1  1  0.59  0.32  0.84  1.0
  Cr  Cr2  1  0.59  0.32  0.57  1.0
  Cl  Cl3  1  0.0  0.0  0.07  1.0

Sc Sc Cr Cl