data_BeIn2Fe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   4.39
_cell_angle_alpha   110.58
_cell_angle_beta   110.58
_cell_angle_gamma   32.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Fe
_chemical_formula_sum   'Be1 In2 Fe1'
_cell_volume   66.84
_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  0.98  0.0  0.84  1.0
  In  In2  1  0.25  0.0  0.18  1.0
  In  In3  1  0.45  0.0  0.01  1.0
  Fe  Fe1  1  0.87  0.0  0.09  1.0

data_BeIn2Fe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.39
_cell_length_c   5.54
_cell_angle_alpha   110.58
_cell_angle_beta   106.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeIn2Fe
_chemical_formula_sum   'Be1 In2 Fe1'
_cell_volume   66.84
_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  0.84  0.98  1.0
  In  In1  1  0.0  0.01  0.45  1.0
  In  In2  1  0.0  0.18  0.25  1.0
  Fe  Fe3  1  0.0  0.09  0.87  1.0

Be In In Fe