data_Co3Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   4.09
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Os
_chemical_formula_sum   'Co3 Os1'
_cell_volume   46.73
_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
  Co  Co0  1  0.29  0.0  0.41  1.0
  Co  Co1  1  0.0  0.0  0.26  1.0
  Co  Co2  1  0.0  0.04  0.72  1.0
  Os  Os3  1  0.29  0.04  0.48  1.0

data_Co3Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.09
_cell_length_c   4.45
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co3Os
_chemical_formula_sum   'Co3 Os1'
_cell_volume   46.73
_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
  Co  Co0  1  0.0  0.0  0.26  1.0
  Co  Co1  1  0.0  0.04  0.72  1.0
  Co  Co2  1  0.29  0.0  0.41  1.0
  Os  Os3  1  0.29  0.04  0.48  1.0

Co Co Co Os
Co Co Co Os 0 3 o o o 0 1 o o o 2 3 o o o 