data_Y2MnSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   6.09
_cell_length_c   6.09
_cell_angle_alpha   37.05
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnSn
_chemical_formula_sum   'Y2 Mn1 Sn1'
_cell_volume   101.85
_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  Y2  1  0.0  0.0  0.44  1.0
  Y  Y3  1  0.28  0.0  0.96  1.0
  Mn  Mn0  1  0.0  0.0  0.06  1.0
  Sn  Sn1  1  0.28  0.0  0.71  1.0

data_Y2MnSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   4.55
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   108.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnSn
_chemical_formula_sum   'Y2 Mn1 Sn1'
_cell_volume   101.85
_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  Y0  1  0.04  0.28  0.04  1.0
  Y  Y1  1  0.56  0.0  0.56  1.0
  Mn  Mn2  1  0.94  0.0  0.94  1.0
  Sn  Sn3  1  0.29  0.28  0.29  1.0

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