data_BeVCd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   2.72
_cell_angle_alpha   99.63
_cell_angle_beta   99.63
_cell_angle_gamma   117.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVCd2
_chemical_formula_sum   'Be1 V1 Cd2'
_cell_volume   65.54
_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  V3  1  0.77  0.0  0.0  1.0
  Cd  Cd1  1  0.95  0.3  0.28  1.0
  Cd  Cd2  1  0.95  0.7  0.28  1.0

data_BeVCd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.33
_cell_length_c   5.37
_cell_angle_alpha   116.92
_cell_angle_beta   99.63
_cell_angle_gamma   99.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVCd2
_chemical_formula_sum   'Be1 V1 Cd2'
_cell_volume   65.54
_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  0.0  0.77  1.0
  Cd  Cd2  1  0.58  0.3  0.25  1.0
  Cd  Cd3  1  0.99  0.7  0.65  1.0

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