data_YMnSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.86
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnSi2
_chemical_formula_sum   'Y1 Mn1 Si2'
_cell_volume   68.6
_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
  Y  Y3  1  0.08  0.93  0.37  1.0
  Mn  Mn0  1  0.09  0.0  0.87  1.0
  Si  Si1  1  0.89  0.93  0.11  1.0
  Si  Si2  1  0.72  0.0  0.14  1.0

data_YMnSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.86
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   100.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnSi2
_chemical_formula_sum   'Y1 Mn1 Si2'
_cell_volume   68.6
_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
  Y  Y0  1  0.08  0.93  0.37  1.0
  Mn  Mn1  1  0.09  0.0  0.87  1.0
  Si  Si2  1  0.72  0.0  0.14  1.0
  Si  Si3  1  0.89  0.93  0.11  1.0

Y Mn Si Si