data_Be2BiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.97
_cell_angle_alpha   103.76
_cell_angle_beta   103.76
_cell_angle_gamma   50.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BiAs
_chemical_formula_sum   'Be2 Bi1 As1'
_cell_volume   74.14
_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
  Be  Be1  1  0.54  0.0  0.56  1.0
  Be  Be2  1  0.58  0.0  0.86  1.0
  Bi  Bi3  1  0.65  0.0  0.36  1.0
  As  As0  1  0.32  0.0  0.6  1.0

data_Be2BiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.07
_cell_length_c   5.97
_cell_angle_alpha   103.76
_cell_angle_beta   90.0
_cell_angle_gamma   115.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2BiAs
_chemical_formula_sum   'Be2 Bi1 As1'
_cell_volume   74.14
_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
  Be  Be0  1  0.0  0.42  0.14  1.0
  Be  Be1  1  0.0  0.46  0.44  1.0
  Bi  Bi2  1  0.0  0.35  0.64  1.0
  As  As3  1  0.0  0.68  0.4  1.0

Be Be Bi As
Be Be Bi As 0 3 o o o 0 1 o o o 0 2 o o o 1 3 o o o 