data_BaV2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.69
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2P
_chemical_formula_sum   'Ba1 V2 P1'
_cell_volume   88.04
_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
  Ba  Ba0  1  0.05  0.84  0.77  1.0
  V  V2  1  0.6  0.84  0.36  1.0
  V  V3  1  0.38  0.0  0.44  1.0
  P  P1  1  0.27  0.0  0.56  1.0

data_BaV2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.69
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   101.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaV2P
_chemical_formula_sum   'Ba1 V2 P1'
_cell_volume   88.04
_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
  Ba  Ba0  1  0.05  0.84  0.77  1.0
  V  V1  1  0.38  0.0  0.44  1.0
  V  V2  1  0.6  0.84  0.36  1.0
  P  P3  1  0.27  0.0  0.56  1.0

Ba V V P