data_Be2VZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   2.35
_cell_angle_alpha   99.05
_cell_angle_beta   99.05
_cell_angle_gamma   113.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VZn
_chemical_formula_sum   'Be2 V1 Zn1'
_cell_volume   44.88
_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  0.93  0.05  0.13  1.0
  Be  Be1  1  0.93  0.95  0.13  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.55  0.0  0.0  1.0

data_Be2VZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.35
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   113.8
_cell_angle_beta   99.05
_cell_angle_gamma   99.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VZn
_chemical_formula_sum   'Be2 V1 Zn1'
_cell_volume   44.88
_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  0.13  0.93  0.05  1.0
  Be  Be1  1  0.13  0.93  0.95  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.0  0.55  0.0  1.0

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