data_YMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn
_chemical_formula_sum   'Y2 Mn2'
_cell_volume   93.96
_cell_formula_units_Z   2
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  0.74  0.0  0.44  1.0
  Y  Y3  1  0.0  0.74  0.35  1.0
  Mn  Mn0  1  0.74  0.0  0.18  1.0
  Mn  Mn1  1  0.0  0.74  0.61  1.0

data_YMn
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   7.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   YMn
_chemical_formula_sum   'Y4 Mn4'
_cell_volume   187.91
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.13  0.0  0.95  1.0
  Mn  Mn1  4  0.13  0.0  0.21  1.0

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