data_VRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.13
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   144.99
_cell_angle_beta   109.76
_cell_angle_gamma   80.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhSe2
_chemical_formula_sum   'V1 Rh1 Se2'
_cell_volume   70.91
_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
  V  V3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.9  1.0
  Se  Se1  1  0.54  0.0  0.87  1.0
  Se  Se2  1  0.0  0.95  0.03  1.0

data_VRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   5.13
_cell_length_c   5.13
_cell_angle_alpha   70.24
_cell_angle_beta   72.49
_cell_angle_gamma   72.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhSe2
_chemical_formula_sum   'V1 Rh1 Se2'
_cell_volume   70.91
_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
  V  V0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.9  -0.0  0.1  1.0
  Se  Se2  1  0.03  -0.0  0.92  1.0
  Se  Se3  1  0.33  0.54  0.13  1.0

V Rh Se Se
V Rh Se Se 0 3 o - o 0 1 o o - 0 2 - o - 1 2 - o o 2 3 + - + 