data_CaNbV2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.09
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbV2
_chemical_formula_sum   'Ca1 Nb1 V2'
_cell_volume   79.38
_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
  Ca  Ca0  1  0.84  0.0  0.17  1.0
  Nb  Nb1  1  0.62  0.04  0.4  1.0
  V  V2  1  0.92  0.0  0.08  1.0
  V  V3  1  0.98  0.04  0.1  1.0

data_CaNbV2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.09
_cell_length_c   6.65
_cell_angle_alpha   90.0
_cell_angle_beta   102.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbV2
_chemical_formula_sum   'Ca1 Nb1 V2'
_cell_volume   79.38
_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
  Ca  Ca0  1  0.84  0.0  0.17  1.0
  Nb  Nb1  1  0.62  0.04  0.4  1.0
  V  V2  1  0.92  0.0  0.08  1.0
  V  V3  1  0.98  0.04  0.1  1.0

Ca Nb V V