data_YBe2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.15
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2B
_chemical_formula_sum   'Y1 Be2 B1'
_cell_volume   50.04
_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  0.34  0.57  0.07  1.0
  Be  Be1  1  0.34  0.57  0.83  1.0
  Be  Be2  1  0.0  0.0  0.96  1.0
  B  B0  1  0.0  0.0  0.94  1.0

data_YBe2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.15
_cell_length_c   5.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe2B
_chemical_formula_sum   'Y1 Be2 B1'
_cell_volume   50.04
_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  0.34  0.57  0.07  1.0
  Be  Be1  1  0.0  0.0  0.96  1.0
  Be  Be2  1  0.34  0.57  0.83  1.0
  B  B3  1  0.0  0.0  0.94  1.0

Y Be Be B
Y Be Be B 0 2 o + - 0 1 o o - 1 3 o + o 2 3 o o o 