data_YMnBe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   5.41
_cell_angle_alpha   109.59
_cell_angle_beta   109.59
_cell_angle_gamma   58.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnBe2
_chemical_formula_sum   'Y1 Mn1 Be2'
_cell_volume   61.04
_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  0.12  0.0  0.81  1.0
  Mn  Mn2  1  0.25  0.0  0.75  1.0
  Be  Be0  1  0.03  0.0  0.88  1.0
  Be  Be1  1  0.44  0.0  0.06  1.0

data_YMnBe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.79
_cell_length_c   5.41
_cell_angle_alpha   109.59
_cell_angle_beta   90.0
_cell_angle_gamma   119.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnBe2
_chemical_formula_sum   'Y1 Mn1 Be2'
_cell_volume   61.04
_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  0.0  0.88  0.19  1.0
  Mn  Mn1  1  0.0  0.75  0.25  1.0
  Be  Be2  1  0.0  0.56  0.94  1.0
  Be  Be3  1  0.0  0.97  0.12  1.0

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