data_KBeV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.0
_cell_angle_alpha   97.01
_cell_angle_beta   97.01
_cell_angle_gamma   34.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeV2
_chemical_formula_sum   'K1 Be1 V2'
_cell_volume   82.12
_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
  K  K1  1  0.48  0.0  0.9  1.0
  Be  Be0  1  0.18  0.0  0.14  1.0
  V  V2  1  0.73  0.0  0.85  1.0
  V  V3  1  0.31  0.0  0.47  1.0

data_KBeV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.7
_cell_length_b   4.59
_cell_length_c   7.0
_cell_angle_alpha   97.01
_cell_angle_beta   90.0
_cell_angle_gamma   107.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeV2
_chemical_formula_sum   'K1 Be1 V2'
_cell_volume   82.12
_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
  K  K0  1  0.0  0.52  0.1  1.0
  Be  Be1  1  0.0  0.82  0.86  1.0
  V  V2  1  0.0  0.27  0.15  1.0
  V  V3  1  0.0  0.69  0.53  1.0

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