data_YScBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.27
_cell_length_b   6.27
_cell_length_c   6.27
_cell_angle_alpha   149.16
_cell_angle_beta   149.16
_cell_angle_gamma   44.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YScBe
_chemical_formula_sum   'Y1 Sc1 Be1'
_cell_volume   64.71
_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  Y2  1  0.0  0.0  0.46  1.0
  Sc  Sc1  1  0.0  0.0  0.31  1.0
  Be  Be0  1  0.0  0.0  0.49  1.0

data_YScBe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   112.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YScBe
_chemical_formula_sum   'Y2 Sc2 Be2'
_cell_volume   129.41
_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  0.46  0.0  0.46  1.0
  Sc  Sc1  2  0.31  0.0  0.31  1.0
  Be  Be2  2  0.49  0.0  0.49  1.0

Y Sc Be