data_YMn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Os
_chemical_formula_sum   'Y1 Mn2 Os1'
_cell_volume   62.69
_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  Y3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.08  0.0  0.14  1.0
  Mn  Mn1  1  0.08  0.0  0.88  1.0
  Os  Os2  1  0.0  0.0  0.51  1.0

data_YMn2Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YMn2Os
_chemical_formula_sum   'Y1 Mn2 Os1'
_cell_volume   62.71
_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  0.0  0.0  0.0  1.0
  Mn  Mn1  1  0.08  0.0  0.14  1.0
  Mn  Mn2  1  0.08  0.0  0.88  1.0
  Os  Os3  1  0.0  0.0  0.51  1.0

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