data_Y2MnBe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   135.14
_cell_angle_beta   135.14
_cell_angle_gamma   65.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnBe
_chemical_formula_sum   'Y2 Mn1 Be1'
_cell_volume   83.42
_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  0.67  1.0
  Y  Y3  1  0.0  0.11  0.33  1.0
  Mn  Mn1  1  0.11  0.0  0.33  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0

data_Y2MnBe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.54
_cell_angle_alpha   112.43
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnBe
_chemical_formula_sum   'Y2 Mn1 Be1'
_cell_volume   83.42
_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  0.33  0.0  0.33  1.0
  Y  Y1  1  0.78  0.11  0.78  1.0
  Mn  Mn2  1  0.67  0.0  0.78  1.0
  Be  Be3  1  0.0  0.0  0.0  1.0

Y Y Mn Be
Y Y Mn Be 0 3 o o + 1 2 o o o 1 3 o o o 2 3 o o o 