data_Y4Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.49
_cell_length_b   9.49
_cell_length_c   9.49
_cell_angle_alpha   155.05
_cell_angle_beta   155.05
_cell_angle_gamma   35.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Be
_chemical_formula_sum   'Y4 Be1'
_cell_volume   152.1
_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  Y1  1  0.05  0.0  0.52  1.0
  Y  Y2  1  0.0  0.05  0.52  1.0
  Y  Y3  1  0.0  0.0  0.57  1.0
  Y  Y4  1  0.0  0.0  0.51  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Y4Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   9.49
_cell_angle_alpha   90.0
_cell_angle_beta   107.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y4Be
_chemical_formula_sum   'Y8 Be2'
_cell_volume   304.19
_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  4  0.03  0.03  0.53  1.0
  Y  Y1  2  0.0  0.0  0.43  1.0
  Y  Y2  2  0.0  0.0  0.49  1.0
  Be  Be3  2  0.0  0.0  0.0  1.0

Y Y Y Y Be