data_CoSeCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92
_cell_length_b   3.92
_cell_length_c   6.93
_cell_angle_alpha   90.99
_cell_angle_beta   90.99
_cell_angle_gamma   49.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSeCl2
_chemical_formula_sum   'Co1 Se1 Cl2'
_cell_volume   80.36
_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
  Co  Co2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.5  0.0  0.46  1.0
  Cl  Cl0  1  0.61  0.0  0.67  1.0
  Cl  Cl1  1  0.39  0.0  0.26  1.0

data_CoSeCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.92
_cell_length_c   6.93
_cell_angle_alpha   90.99
_cell_angle_beta   90.0
_cell_angle_gamma   114.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSeCl2
_chemical_formula_sum   'Co1 Se1 Cl2'
_cell_volume   80.36
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.0  0.5  0.54  1.0
  Cl  Cl2  1  0.0  0.39  0.33  1.0
  Cl  Cl3  1  0.0  0.61  0.74  1.0

Co Se Cl Cl