data_YV4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   102.77
_cell_angle_beta   102.77
_cell_angle_gamma   123.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV4
_chemical_formula_sum   'Y1 V4'
_cell_volume   85.19
_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
  Y  Y4  1  0.0  0.0  0.0  1.0
  V  V0  1  0.07  0.25  0.0  1.0
  V  V1  1  0.98  0.79  0.3  1.0
  V  V2  1  0.84  0.07  0.0  1.0
  V  V3  1  0.21  0.98  0.3  1.0

data_YV4
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.59
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   77.23
_cell_angle_beta   61.95
_cell_angle_gamma   61.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YV4
_chemical_formula_sum   'Y1 V4'
_cell_volume   85.19
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  V  V1  1  0.07  0.77  0.0  1.0
  V  V2  1  0.25  0.81  0.0  1.0
  V  V3  1  0.79  0.19  0.7  1.0
  V  V4  1  0.98  0.23  0.7  1.0

Y V V V V
Y V V V V 0 1 o o o 0 3 - o o 1 3 - o o 2 4 + o o 