data_BeV2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.66
_cell_angle_alpha   96.72
_cell_angle_beta   96.72
_cell_angle_gamma   123.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Ag
_chemical_formula_sum   'Be1 V2 Ag1'
_cell_volume   53.96
_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  Be1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.85  0.22  0.29  1.0
  V  V3  1  0.85  0.78  0.29  1.0
  Ag  Ag0  1  0.36  0.0  0.0  1.0

data_BeV2Ag
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   4.73
_cell_length_c   5.03
_cell_angle_alpha   61.97
_cell_angle_beta   83.28
_cell_angle_gamma   75.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeV2Ag
_chemical_formula_sum   'Be1 V2 Ag1'
_cell_volume   53.96
_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  0.71  0.22  0.63  1.0
  V  V2  1  0.71  0.78  0.07  1.0
  Ag  Ag3  1  0.0  0.0  0.36  1.0

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