data_Y2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2CuOs
_chemical_formula_sum   'Y2 Cu1 Os1'
_cell_volume   84.19
_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
  Y  Y2  1  0.39  0.0  0.27  1.0
  Y  Y3  1  0.39  0.0  0.89  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.58  1.0

data_Y2CuOs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.43
_cell_length_b   3.43
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2CuOs
_chemical_formula_sum   'Y2 Cu1 Os1'
_cell_volume   84.22
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Y  Y0  1  0.39  0.0  0.27  1.0
  Y  Y1  1  0.39  0.0  0.89  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.58  1.0

Y Y Cu Os
Y Y Cu Os 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 0 1 o o - 1 2 o o + 1 3 + o o 1 3 o o o 2 3 o o - 