data_Sr2BeV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   3.47
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeV
_chemical_formula_sum   'Sr2 Be1 V1'
_cell_volume   104.71
_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
  Sr  Sr1  1  0.74  0.74  0.02  1.0
  Sr  Sr2  1  0.74  0.74  0.67  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  V  V3  1  0.0  0.0  0.34  1.0

data_Sr2BeV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   8.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2BeV
_chemical_formula_sum   'Sr4 Be2 V2'
_cell_volume   209.42
_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
  Sr  Sr0  2  0.24  0.5  0.02  1.0
  Sr  Sr1  2  0.24  0.5  0.67  1.0
  Be  Be2  2  0.0  0.0  0.0  1.0
  V  V3  2  0.0  0.0  0.34  1.0

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