data_Sr2CoOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   8.62
_cell_angle_alpha   102.78
_cell_angle_beta   102.78
_cell_angle_gamma   60.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CoOs
_chemical_formula_sum   'Sr2 Co1 Os1'
_cell_volume   119.16
_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  0.79  0.0  0.4  1.0
  Sr  Sr3  1  0.79  0.0  0.01  1.0
  Co  Co0  1  0.43  0.0  0.21  1.0
  Os  Os1  1  0.09  0.0  0.2  1.0

data_Sr2CoOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   8.62
_cell_angle_alpha   77.22
_cell_angle_beta   77.22
_cell_angle_gamma   60.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CoOs
_chemical_formula_sum   'Sr2 Co1 Os1'
_cell_volume   119.16
_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  0.21  0.0  0.4  1.0
  Sr  Sr1  1  0.21  0.0  0.01  1.0
  Co  Co2  1  0.57  0.0  0.21  1.0
  Os  Os3  1  0.91  0.0  0.2  1.0

Sr Sr Co Os
Sr Sr Co Os 0 2 o o o 0 3 + o o 1 3 + o o 2 3 o o o 