data_Y2VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   3.52
_cell_angle_alpha   92.19
_cell_angle_beta   92.19
_cell_angle_gamma   95.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VSe
_chemical_formula_sum   'Y2 V1 Se1'
_cell_volume   91.69
_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  0.62  0.89  0.76  1.0
  Y  Y3  1  0.62  0.11  0.76  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.44  0.0  0.0  1.0

data_Y2VSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   95.41
_cell_angle_beta   92.19
_cell_angle_gamma   92.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VSe
_chemical_formula_sum   'Y2 V1 Se1'
_cell_volume   91.69
_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  0.76  0.62  0.11  1.0
  Y  Y1  1  0.76  0.62  0.89  1.0
  V  V2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.44  0.0  1.0

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