data_YBe2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   3.91
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Si
_chemical_formula_sum   'Y1 Be2 Si1'
_cell_volume   66.27
_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  0.91  0.0  0.17  1.0
  Be  Be0  1  0.99  0.96  0.25  1.0
  Be  Be1  1  0.84  0.96  0.1  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_YBe2Si
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   3.91
_cell_length_c   4.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2Si
_chemical_formula_sum   'Y1 Be2 Si1'
_cell_volume   66.27
_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  0.91  0.0  0.17  1.0
  Be  Be1  1  0.84  0.96  0.1  1.0
  Be  Be2  1  0.99  0.96  0.25  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0

Y Be Be Si