data_CrSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.86
_cell_angle_alpha   105.12
_cell_angle_beta   105.12
_cell_angle_gamma   33.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSe2Cl
_chemical_formula_sum   'Cr1 Se2 Cl1'
_cell_volume   108.5
_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
  Cr  Cr1  1  0.44  0.0  0.93  1.0
  Se  Se2  1  0.99  0.0  0.5  1.0
  Se  Se3  1  0.33  0.0  0.71  1.0
  Cl  Cl0  1  0.79  0.0  0.32  1.0

data_CrSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.86
_cell_length_c   5.9
_cell_angle_alpha   105.12
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrSe2Cl
_chemical_formula_sum   'Cr1 Se2 Cl1'
_cell_volume   108.5
_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
  Cr  Cr0  1  0.0  0.93  0.44  1.0
  Se  Se1  1  0.0  0.5  0.99  1.0
  Se  Se2  1  0.0  0.71  0.33  1.0
  Cl  Cl3  1  0.0  0.32  0.79  1.0

Cr Se Se Cl