data_SrCr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   4.64
_cell_angle_alpha   108.68
_cell_angle_beta   108.68
_cell_angle_gamma   31.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Cl
_chemical_formula_sum   'Sr1 Cr2 Cl1'
_cell_volume   104.45
_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  0.74  0.0  0.19  1.0
  Cr  Cr1  1  0.35  0.0  0.07  1.0
  Cr  Cr2  1  0.14  0.0  0.3  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SrCr2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   4.64
_cell_length_c   6.77
_cell_angle_alpha   108.68
_cell_angle_beta   105.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Cl
_chemical_formula_sum   'Sr1 Cr2 Cl1'
_cell_volume   104.45
_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  Sr0  1  0.0  0.19  0.74  1.0
  Cr  Cr1  1  0.0  0.07  0.35  1.0
  Cr  Cr2  1  0.0  0.3  0.14  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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