data_SrCrCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   140.89
_cell_angle_beta   123.94
_cell_angle_gamma   70.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrCo2
_chemical_formula_sum   'Sr1 Cr1 Co2'
_cell_volume   69.68
_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  0.2  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.41  0.32  1.0
  Co  Co1  1  0.72  0.0  0.87  1.0

data_SrCrCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.83
_cell_length_c   5.14
_cell_angle_alpha   118.03
_cell_angle_beta   109.56
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrCo2
_chemical_formula_sum   'Sr1 Cr1 Co2'
_cell_volume   69.68
_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  0.8  0.8  0.8  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.68  0.09  0.09  1.0
  Co  Co3  1  0.85  0.13  0.85  1.0

Sr Cr Co Co
Sr Cr Co Co 0 1 o o o 1 3 - o - 1 2 o o o 2 3 - o - 