data_BeFeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeFeAs2
_chemical_formula_sum   'Be1 Fe1 As2'
_cell_volume   60.53
_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  Be2  1  0.0  0.0  0.09  1.0
  Fe  Fe3  1  0.43  0.43  0.11  1.0
  As  As0  1  0.0  0.0  0.58  1.0
  As  As1  1  0.43  0.43  0.6  1.0

data_BeFeAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.06
_cell_length_b   4.06
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeFeAs2
_chemical_formula_sum   'Be2 Fe2 As4'
_cell_volume   121.06
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.09  1.0
  Fe  Fe1  2  0.43  0.0  0.11  1.0
  As  As2  2  0.0  0.0  0.58  1.0
  As  As3  2  0.43  0.0  0.6  1.0

Be Fe As As
Be Fe As As 0 1 - o o 0 1 o - o 0 1 o o o 2 3 - o o 2 3 o - o 2 3 o o o 