data_VRhSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.42
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   43.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhSe2
_chemical_formula_sum   'V1 Rh1 Se2'
_cell_volume   65.62
_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  0.42  0.0  0.66  1.0
  Se  Se1  1  0.43  0.0  0.24  1.0
  Se  Se2  1  0.4  0.0  0.09  1.0

data_VRhSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.23
_cell_length_c   5.42
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   111.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VRhSe2
_chemical_formula_sum   'V1 Rh1 Se2'
_cell_volume   65.62
_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  0.0  0.58  0.34  1.0
  Se  Se2  1  0.0  0.57  0.76  1.0
  Se  Se3  1  0.0  0.6  0.91  1.0

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