data_Y2BeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   3.65
_cell_angle_alpha   90.84
_cell_angle_beta   90.84
_cell_angle_gamma   90.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2BeAs
_chemical_formula_sum   'Y2 Be1 As1'
_cell_volume   84.75
_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  0.66  0.29  0.83  1.0
  Y  Y3  1  0.66  0.71  0.83  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.39  0.0  0.0  1.0

data_Y2BeAs
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.65
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2BeAs
_chemical_formula_sum   'Y2 Be1 As1'
_cell_volume   84.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.83  0.29  0.66  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  As  As2  1  -0.0  0.0  0.39  1.0

Y Y Be As