data_Y2VSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2VSe
_chemical_formula_sum   'Y2 V1 Se1'
_cell_volume   92.75
_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  0.78  0.83  0.78  1.0
  Y  Y3  1  0.78  0.17  0.78  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Se  Se0  1  0.55  0.0  0.0  1.0

data_Y2VSe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.56
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2VSe
_chemical_formula_sum   'Y2 V1 Se1'
_cell_volume   92.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.78  0.17  0.78  1.0
  V  V1  1  0.0  0.0  0.0  1.0
  Se  Se2  1  0.0  0.0  0.55  1.0

Y Y V Se