data_SrCrOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.72
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrOs2
_chemical_formula_sum   'Sr1 Cr1 Os2'
_cell_volume   66.8
_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  0.47  0.36  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.36  0.4  1.0
  Os  Os2  1  0.47  0.0  0.4  1.0

data_SrCrOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.72
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrOs2
_chemical_formula_sum   'Sr1 Cr1 Os2'
_cell_volume   66.8
_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  0.47  0.36  -0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.36  0.4  1.0
  Os  Os3  1  0.47  0.0  0.4  1.0

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