data_Be2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   2.79
_cell_angle_alpha   104.16
_cell_angle_beta   104.16
_cell_angle_gamma   118.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeCl
_chemical_formula_sum   'Be2 Fe1 Cl1'
_cell_volume   49.4
_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  0.22  0.94  0.0  1.0
  Be  Be1  1  0.22  0.06  0.0  1.0
  Fe  Fe3  1  0.45  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

data_Be2FeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   4.32
_cell_length_c   4.79
_cell_angle_alpha   114.89
_cell_angle_beta   104.16
_cell_angle_gamma   95.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeCl
_chemical_formula_sum   'Be2 Fe1 Cl1'
_cell_volume   49.4
_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  0.06  0.06  0.29  1.0
  Be  Be1  1  0.94  0.94  0.16  1.0
  Fe  Fe2  1  0.0  0.0  0.45  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Be Be Fe Cl