data_YMnSn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.54
_cell_length_b   4.54
_cell_length_c   5.94
_cell_angle_alpha   110.49
_cell_angle_beta   110.49
_cell_angle_gamma   55.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnSn2
_chemical_formula_sum   'Y1 Mn1 Sn2'
_cell_volume   92.72
_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  0.84  0.0  0.73  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.41  0.0  0.0  1.0
  Sn  Sn2  1  0.26  0.0  0.45  1.0

data_YMnSn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.54
_cell_length_c   5.94
_cell_angle_alpha   110.49
_cell_angle_beta   90.0
_cell_angle_gamma   117.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnSn2
_chemical_formula_sum   'Y1 Mn1 Sn2'
_cell_volume   92.72
_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  0.0  0.16  0.27  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.0  0.59  1.0  1.0
  Sn  Sn3  1  0.0  0.74  0.55  1.0

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