data_BeZnFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.48
_cell_angle_alpha   138.12
_cell_angle_beta   130.43
_cell_angle_gamma   66.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnFe2
_chemical_formula_sum   'Be1 Zn1 Fe2'
_cell_volume   44.94
_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  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.0  0.74  1.0
  Fe  Fe1  1  0.0  0.88  0.94  1.0
  Fe  Fe2  1  0.6  0.0  0.8  1.0

data_BeZnFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   3.75
_cell_length_c   4.48
_cell_angle_alpha   114.78
_cell_angle_beta   110.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeZnFe2
_chemical_formula_sum   'Be1 Zn1 Fe2'
_cell_volume   44.94
_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  0.0  0.0  1.0
  Zn  Zn1  1  0.26  0.26  0.26  1.0
  Fe  Fe2  1  0.06  0.94  0.94  1.0
  Fe  Fe3  1  0.8  0.2  0.8  1.0

Be Zn Fe Fe
Be Zn Fe Fe 0 2 o - - 0 1 o o - 0 3 - o - 1 2 o - o 2 3 - + o 