data_Mn2CuOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   3.65
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuOs
_chemical_formula_sum   'Mn2 Cu1 Os1'
_cell_volume   49.7
_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
  Mn  Mn1  1  0.28  0.82  0.3  1.0
  Mn  Mn2  1  0.22  0.82  0.85  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.93  0.0  0.58  1.0

data_Mn2CuOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.65
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   91.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CuOs
_chemical_formula_sum   'Mn2 Cu1 Os1'
_cell_volume   49.7
_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
  Mn  Mn0  1  0.22  0.82  0.85  1.0
  Mn  Mn1  1  0.28  0.82  0.3  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.93  0.0  0.58  1.0

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