data_YBe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   102.52
_cell_angle_beta   102.52
_cell_angle_gamma   124.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBe4
_chemical_formula_sum   'Y1 Be4'
_cell_volume   62.38
_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  Y4  1  0.0  0.0  0.0  1.0
  Be  Be0  1  0.0  0.73  0.05  1.0
  Be  Be1  1  0.03  0.76  0.0  1.0
  Be  Be2  1  0.76  0.03  0.0  1.0
  Be  Be3  1  0.73  0.0  0.05  1.0

data_YBe4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   7.8
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   117.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YBe4
_chemical_formula_sum   'Y2 Be8'
_cell_volume   124.75
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Be  Be1  4  0.11  0.14  -0.0  1.0
  Be  Be2  4  0.14  0.14  0.95  1.0

Y Be Be Be Be
Y Be Be Be Be 0 4 - o o 0 3 - o o 0 2 o - o 0 1 o - o 1 2 o o o 3 4 o o o 