data_TaV2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.9
_cell_length_b   4.9
_cell_length_c   4.9
_cell_angle_alpha   135.78
_cell_angle_beta   135.78
_cell_angle_gamma   64.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2P
_chemical_formula_sum   'Ta1 V2 P1'
_cell_volume   56.28
_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
  Ta  Ta1  1  0.84  0.0  0.07  1.0
  V  V2  1  0.0  0.0  0.14  1.0
  V  V3  1  0.0  0.84  0.07  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_TaV2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   4.9
_cell_angle_alpha   112.11
_cell_angle_beta   112.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaV2P
_chemical_formula_sum   'Ta1 V2 P1'
_cell_volume   56.28
_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
  Ta  Ta0  1  0.93  0.0  0.77  1.0
  V  V1  1  0.77  0.84  0.77  1.0
  V  V2  1  0.86  0.0  0.86  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ta V V P
Ta V V P 0 1 + o o 1 2 o - o 1 3 o o o 