data_SrCr2Cd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.11
_cell_length_b   3.23
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   94.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Cd
_chemical_formula_sum   'Sr1 Cr2 Cd1'
_cell_volume   77.06
_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  0.65  1.0
  Cr  Cr1  1  0.04  0.0  0.42  1.0
  Cr  Cr2  1  0.44  0.61  0.25  1.0
  Cd  Cd0  1  0.04  0.61  0.17  1.0

data_SrCr2Cd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   3.23
_cell_length_c   7.69
_cell_angle_alpha   90.0
_cell_angle_beta   94.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCr2Cd
_chemical_formula_sum   'Sr1 Cr2 Cd1'
_cell_volume   77.06
_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  0.74  0.0  0.65  1.0
  Cr  Cr1  1  0.04  0.0  0.42  1.0
  Cr  Cr2  1  0.44  0.61  0.25  1.0
  Cd  Cd3  1  0.04  0.61  0.17  1.0

Sr Cr Cr Cd
Sr Cr Cr Cd 0 1 + o o 1 3 o - o 1 2 - - o 1 2 o - o 2 3 o o o 