data_SrCo2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCo2Cl
_chemical_formula_sum   'Sr1 Co2 Cl1'
_cell_volume   91.66
_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  0.73  1.0
  Co  Co1  1  0.88  0.0  0.13  1.0
  Co  Co2  1  0.88  0.0  0.33  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrCo2Cl
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.46
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   SrCo2Cl
_chemical_formula_sum   'Sr1 Co2 Cl1'
_cell_volume   91.67
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Sr0  1  0.0  0.0  0.73  1.0
  Co  Co1  1  0.88  0.0  0.13  1.0
  Co  Co2  1  0.88  0.0  0.33  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sr Co Co Cl
Sr Co Co Cl 0 3 o o + 1 3 + o o 1 2 o o o 