# generated using pymatgen
data_ScHCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44965051
_cell_length_b   9.44965051
_cell_length_c   9.44965083
_cell_angle_alpha   21.31537085
_cell_angle_beta   21.31537085
_cell_angle_gamma   21.31537413
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScHCl
_chemical_formula_sum   'Sc2 H2 Cl2'
_cell_volume   97.67153502
_cell_formula_units_Z   2
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  0.87863251  0.87863251  0.87863251  1.0
  Sc  Sc1  1  0.12136749  0.12136749  0.12136749  1.0
  H  H2  1  0.80636156  0.80636156  0.80636156  1.0
  H  H3  1  0.19363844  0.19363844  0.19363844  1.0
  Cl  Cl4  1  0.39630258  0.39630258  0.39630258  1.0
  Cl  Cl5  1  0.60369742  0.60369742  0.60369742  1.0