data_Be2VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.52
_cell_length_b   4.52
_cell_length_c   3.67
_cell_angle_alpha   107.05
_cell_angle_beta   107.05
_cell_angle_gamma   42.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VSe
_chemical_formula_sum   'Be2 V1 Se1'
_cell_volume   48.11
_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  0.28  0.0  0.36  1.0
  Be  Be1  1  0.2  0.0  0.81  1.0
  V  V3  1  0.07  0.0  0.06  1.0
  Se  Se2  1  0.65  0.0  0.49  1.0

data_Be2VSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.67
_cell_length_c   4.52
_cell_angle_alpha   107.05
_cell_angle_beta   111.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2VSe
_chemical_formula_sum   'Be2 V1 Se1'
_cell_volume   48.11
_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  0.36  0.28  1.0
  Be  Be1  1  0.0  0.81  0.2  1.0
  V  V2  1  0.0  0.06  0.07  1.0
  Se  Se3  1  0.0  0.49  0.65  1.0

Be Be V Se
Be Be V Se 0 2 o o o 0 3 o o o 1 2 o o + 