data_Sr2CrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15
_cell_length_b   9.15
_cell_length_c   9.15
_cell_angle_alpha   26.28
_cell_angle_beta   26.28
_cell_angle_gamma   26.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrCl
_chemical_formula_sum   'Sr2 Cr1 Cl1'
_cell_volume   132.34
_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  Sr2  1  0.0  0.0  0.68  1.0
  Sr  Sr3  1  0.0  0.0  0.81  1.0
  Cr  Cr1  1  0.0  0.0  0.25  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_Sr2CrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.21
_cell_length_b   4.16
_cell_length_c   9.15
_cell_angle_alpha   90.0
_cell_angle_beta   105.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CrCl
_chemical_formula_sum   'Sr4 Cr2 Cl2'
_cell_volume   264.68
_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  -0.0  0.0  0.32  1.0
  Sr  Sr1  2  0.0  0.0  0.19  1.0
  Cr  Cr2  2  -0.0  0.0  0.75  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

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