data_BeSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   125.51
_cell_angle_beta   125.51
_cell_angle_gamma   80.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2As
_chemical_formula_sum   'Be1 Si2 As1'
_cell_volume   57.96
_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  0.0  0.0  0.0  1.0
  Si  Si2  1  0.06  0.0  0.71  1.0
  Si  Si3  1  0.0  0.0  0.42  1.0
  As  As0  1  0.0  0.06  0.71  1.0

data_BeSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.49
_cell_angle_alpha   117.24
_cell_angle_beta   117.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2As
_chemical_formula_sum   'Be1 Si2 As1'
_cell_volume   57.96
_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  0.0  0.0  1.0
  Si  Si1  1  0.29  0.0  0.34  1.0
  Si  Si2  1  0.58  0.0  0.58  1.0
  As  As3  1  0.34  0.06  0.34  1.0

Be Si Si As