data_BeVSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   7.92
_cell_angle_alpha   19.75
_cell_angle_beta   19.75
_cell_angle_gamma   19.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeVSi2
_chemical_formula_sum   'Be1 V1 Si2'
_cell_volume   49.53
_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  0.64  1.0
  Si  Si1  1  0.0  0.0  0.92  1.0
  Si  Si2  1  0.0  0.0  0.36  1.0

data_BeVSi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   2.71
_cell_length_c   7.92
_cell_angle_alpha   90.0
_cell_angle_beta   101.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeVSi2
_chemical_formula_sum   'Be2 V2 Si4'
_cell_volume   99.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  V  V1  2  0.0  0.0  0.36  1.0
  Si  Si2  2  0.0  0.0  0.08  1.0
  Si  Si3  2  0.0  0.0  0.64  1.0

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