data_CaVP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVP2
_chemical_formula_sum   'Ca1 V1 P2'
_cell_volume   66.77
_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  0.0  0.0  0.0  1.0
  V  V3  1  0.87  0.0  0.0  1.0
  P  P1  1  0.44  0.73  0.68  1.0
  P  P2  1  0.44  0.27  0.68  1.0

data_CaVP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   100.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaVP2
_chemical_formula_sum   'Ca1 V1 P2'
_cell_volume   66.77
_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  0.0  0.0  0.0  1.0
  V  V1  1  0.0  0.87  0.0  1.0
  P  P2  1  0.68  0.44  0.73  1.0
  P  P3  1  0.68  0.44  0.27  1.0

Ca V P P
Ca V P P 0 1 - o o 0 3 o o - 1 2 o - - 2 3 o + o 2 3 o o o 
CaVP2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted single-bond geometry to one V(1), one P(2), and two equivalent P(1) atoms. The Ca(1)-V(1) bond length is 0.57 Å. The Ca(1)-P(2) bond length is 2.37 Å. There is one shorter (2.71 Å) and one longer (3.36 Å) Ca(1)-P(1) bond length. V(1) is bonded in a distorted single-bond geometry to one Ca(1) and two equivalent P(1) atoms. There is one shorter (2.37 Å) and one longer (3.09 Å) V(1)-P(1) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to two equivalent Ca(1), two equivalent V(1), and two equivalent P(2) atoms. There is one shorter (2.11 Å) and one longer (2.39 Å) P(1)-P(2) bond length. In the second P site, P(2) is bonded in a 1-coordinate geometry to one Ca(1) and two equivalent P(1) atoms.