data_SrYMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.68
_cell_length_b   3.85
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYMn2
_chemical_formula_sum   'Sr1 Y1 Mn2'
_cell_volume   105.6
_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
  Sr  Sr2  1  0.0  0.0  0.0  1.0
  Y  Y3  1  0.0  0.0  0.72  1.0
  Mn  Mn0  1  0.84  0.93  0.14  1.0
  Mn  Mn1  1  0.84  0.93  0.3  1.0

data_SrYMn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.85
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYMn2
_chemical_formula_sum   'Sr1 Y1 Mn2'
_cell_volume   105.6
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Y  Y1  1  0.0  0.0  0.72  1.0
  Mn  Mn2  1  0.84  0.93  0.14  1.0
  Mn  Mn3  1  0.84  0.93  0.3  1.0

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