data_YMn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.89
_cell_length_b   3.89
_cell_length_c   5.59
_cell_angle_alpha   109.87
_cell_angle_beta   109.87
_cell_angle_gamma   57.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Si
_chemical_formula_sum   'Y1 Mn2 Si1'
_cell_volume   66.09
_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  0.56  0.0  0.25  1.0
  Mn  Mn0  1  0.61  0.0  0.38  1.0
  Mn  Mn1  1  0.09  0.0  1.0  1.0
  Si  Si2  1  0.33  0.0  0.26  1.0

data_YMn2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.89
_cell_length_c   5.59
_cell_angle_alpha   109.87
_cell_angle_beta   90.0
_cell_angle_gamma   118.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Si
_chemical_formula_sum   'Y1 Mn2 Si1'
_cell_volume   66.09
_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  0.44  0.75  1.0
  Mn  Mn1  1  0.0  0.39  0.62  1.0
  Mn  Mn2  1  0.0  0.91  0.0  1.0
  Si  Si3  1  0.0  0.67  0.74  1.0

Y Mn Mn Si