data_BeVNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.5
_cell_length_b   3.37
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVNi2
_chemical_formula_sum   'Be1 V1 Ni2'
_cell_volume   42.82
_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  0.0  0.0  0.54  1.0
  Ni  Ni1  1  0.25  0.69  0.19  1.0
  Ni  Ni2  1  0.25  0.69  0.88  1.0

data_BeVNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   3.37
_cell_length_c   5.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVNi2
_chemical_formula_sum   'Be1 V1 Ni2'
_cell_volume   42.82
_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  0.54  1.0
  Ni  Ni2  1  0.25  0.69  0.19  1.0
  Ni  Ni3  1  0.25  0.69  0.88  1.0

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