data_Sr2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   141.6
_cell_angle_beta   132.93
_cell_angle_gamma   62.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuOs
_chemical_formula_sum   'Sr2 Cu1 Os1'
_cell_volume   103.37
_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  0.34  1.0
  Sr  Sr3  1  0.01  0.0  0.8  1.0
  Cu  Cu0  1  0.0  0.0  0.88  1.0
  Os  Os1  1  0.0  0.45  0.95  1.0

data_Sr2CuOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.03
_cell_length_b   4.89
_cell_length_c   6.13
_cell_angle_alpha   113.54
_cell_angle_beta   109.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuOs
_chemical_formula_sum   'Sr2 Cu1 Os1'
_cell_volume   103.37
_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  0.2  0.21  1.0
  Sr  Sr1  1  0.66  0.66  0.66  1.0
  Cu  Cu2  1  0.12  0.12  0.12  1.0
  Os  Os3  1  0.05  0.5  0.5  1.0

Sr Sr Cu Os