data_LiVSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.6
_cell_length_c   6.6
_cell_angle_alpha   150.7
_cell_angle_beta   149.22
_cell_angle_gamma   43.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSe2
_chemical_formula_sum   'Li1 V1 Se2'
_cell_volume   71.74
_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
  Li  Li0  1  0.0  0.0  0.77  1.0
  V  V3  1  0.67  0.0  0.51  1.0
  Se  Se1  1  0.67  0.0  0.47  1.0
  Se  Se2  1  0.0  0.0  0.66  1.0

data_LiVSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   3.5
_cell_length_c   6.6
_cell_angle_alpha   105.39
_cell_angle_beta   104.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiVSe2
_chemical_formula_sum   'Li1 V1 Se2'
_cell_volume   71.74
_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
  Li  Li0  1  0.0  0.77  0.77  1.0
  V  V1  1  0.0  0.51  0.84  1.0
  Se  Se2  1  0.0  0.47  0.8  1.0
  Se  Se3  1  0.0  0.66  0.66  1.0

Li V Se Se