data_V2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   138.73
_cell_angle_beta   138.73
_cell_angle_gamma   59.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrSe
_chemical_formula_sum   'V2 Cr1 Se1'
_cell_volume   52.85
_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  V2  1  0.0  0.0  0.0  1.0
  V  V3  1  0.75  0.0  0.15  1.0
  Cr  Cr0  1  0.0  0.0  0.31  1.0
  Se  Se1  1  0.0  0.75  0.15  1.0

data_V2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   4.97
_cell_angle_alpha   110.64
_cell_angle_beta   110.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CrSe
_chemical_formula_sum   'V2 Cr1 Se1'
_cell_volume   52.85
_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
  V  V1  1  0.85  0.0  0.6  1.0
  Cr  Cr2  1  0.69  0.0  0.69  1.0
  Se  Se3  1  0.6  0.75  0.6  1.0

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