data_KBeV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   157.5
_cell_angle_beta   130.26
_cell_angle_gamma   55.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeV2
_chemical_formula_sum   'K1 Be1 V2'
_cell_volume   68.55
_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  0.0  0.0  0.47  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  V  V2  1  0.21  0.0  0.26  1.0
  V  V3  1  0.0  0.6  0.21  1.0

data_KBeV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.41
_cell_length_b   5.2
_cell_length_c   6.18
_cell_angle_alpha   114.87
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBeV2
_chemical_formula_sum   'K1 Be1 V2'
_cell_volume   68.55
_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  0.53  0.53  0.53  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  V  V2  1  0.79  0.39  0.39  1.0
  V  V3  1  0.94  0.74  0.94  1.0

K Be V V