data_BeVZn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.5
_cell_angle_alpha   109.14
_cell_angle_beta   109.14
_cell_angle_gamma   29.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVZn2
_chemical_formula_sum   'Be1 V1 Zn2'
_cell_volume   50.68
_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
  V  V1  1  1.0  0.0  0.12  1.0
  Zn  Zn2  1  0.43  0.0  0.26  1.0
  Zn  Zn3  1  0.56  0.0  0.98  1.0

data_BeVZn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.52
_cell_length_b   4.5
_cell_length_c   4.92
_cell_angle_alpha   109.14
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVZn2
_chemical_formula_sum   'Be1 V1 Zn2'
_cell_volume   50.68
_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
  V  V1  1  0.0  0.12  1.0  1.0
  Zn  Zn2  1  0.0  0.26  0.43  1.0
  Zn  Zn3  1  0.0  0.98  0.56  1.0

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