data_Be2FeCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.76
_cell_length_b   3.76
_cell_length_c   5.39
_cell_angle_alpha   95.94
_cell_angle_beta   95.94
_cell_angle_gamma   46.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeCl
_chemical_formula_sum   'Be2 Fe1 Cl1'
_cell_volume   55.04
_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  0.3  0.0  0.0  1.0
  Be  Be1  1  0.73  0.0  0.6  1.0
  Fe  Fe3  1  0.17  0.0  0.81  1.0
  Cl  Cl2  1  0.23  0.0  0.63  1.0

data_Be2FeCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   3.76
_cell_length_c   5.39
_cell_angle_alpha   95.94
_cell_angle_beta   90.0
_cell_angle_gamma   113.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2FeCl
_chemical_formula_sum   'Be2 Fe1 Cl1'
_cell_volume   55.04
_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  0.27  0.4  1.0
  Be  Be1  1  0.0  0.7  1.0  1.0
  Fe  Fe2  1  0.0  0.83  0.19  1.0
  Cl  Cl3  1  0.0  0.77  0.37  1.0

Be Be Fe Cl