data_SrCoCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   121.23
_cell_angle_beta   121.23
_cell_angle_gamma   87.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCoCl2
_chemical_formula_sum   'Sr1 Co1 Cl2'
_cell_volume   89.57
_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
  Sr  Sr3  1  0.0  0.0  0.64  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.48  0.82  1.0
  Cl  Cl1  1  0.48  0.0  0.82  1.0

data_SrCoCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.02
_cell_length_b   7.02
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   133.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCoCl2
_chemical_formula_sum   'Sr2 Co2 Cl4'
_cell_volume   179.13
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.36  0.0  0.36  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  4  0.42  0.24  0.66  1.0

Sr Co Cl Cl