data_BeSi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.84
_cell_length_b   3.84
_cell_length_c   5.81
_cell_angle_alpha   109.3
_cell_angle_beta   109.3
_cell_angle_gamma   54.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2As
_chemical_formula_sum   'Be1 Si2 As1'
_cell_volume   64.46
_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  0.81  0.0  0.45  1.0
  Si  Si2  1  0.4  0.0  0.35  1.0
  Si  Si3  1  0.66  0.0  0.29  1.0
  As  As0  1  0.8  0.0  0.39  1.0

data_BeSi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.84
_cell_length_c   5.81
_cell_angle_alpha   70.73
_cell_angle_beta   72.45
_cell_angle_gamma   62.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeSi2As
_chemical_formula_sum   'Be1 Si2 As1'
_cell_volume   64.46
_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  0.35  0.45  1.0
  Si  Si1  1  0.0  0.05  0.35  1.0
  Si  Si2  1  0.0  0.37  0.29  1.0
  As  As3  1  0.0  0.41  0.39  1.0

Be Si Si As