data_Y2HfV
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64
_cell_length_b   10.64
_cell_length_c   10.64
_cell_angle_alpha   17.77
_cell_angle_beta   17.77
_cell_angle_gamma   17.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2HfV
_chemical_formula_sum   'Y2 Hf1 V1'
_cell_volume   97.88
_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  Y2  1  0.0  0.0  0.01  1.0
  Y  Y3  1  0.0  0.0  0.75  1.0
  Hf  Hf0  1  0.0  0.0  0.07  1.0
  V  V1  1  0.0  0.0  0.69  1.0

data_Y2HfV
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.69
_cell_length_b   3.29
_cell_length_c   10.64
_cell_angle_alpha   90.0
_cell_angle_beta   100.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2HfV
_chemical_formula_sum   'Y4 Hf2 V2'
_cell_volume   195.76
_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
  Y  Y0  2  0.0  0.0  0.25  1.0
  Y  Y1  2  0.0  0.0  0.99  1.0
  Hf  Hf2  2  0.0  0.0  0.93  1.0
  V  V3  2  0.0  0.0  0.31  1.0

Y Y Hf V
Y Y Hf V 0 2 o o o 1 3 o o o 