data_FeBi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   3.45
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   93.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2As
_chemical_formula_sum   'Fe1 Bi2 As1'
_cell_volume   86.78
_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
  Fe  Fe3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.38  0.73  0.91  1.0
  Bi  Bi2  1  0.55  0.73  0.63  1.0
  As  As0  1  0.8  0.0  0.77  1.0

data_FeBi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.45
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   93.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBi2As
_chemical_formula_sum   'Fe1 Bi2 As1'
_cell_volume   86.78
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.38  0.73  0.91  1.0
  Bi  Bi2  1  0.55  0.73  0.63  1.0
  As  As3  1  0.8  0.0  0.77  1.0

Fe Bi Bi As