data_V2CuP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   140.43
_cell_angle_beta   129.01
_cell_angle_gamma   66.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuP
_chemical_formula_sum   'V2 Cu1 P1'
_cell_volume   50.06
_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  0.02  0.8  1.0
  V  V3  1  0.0  0.0  0.99  1.0
  Cu  Cu0  1  0.0  0.02  0.17  1.0
  P  P1  1  0.0  0.0  0.8  1.0

data_V2CuP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.03
_cell_length_c   4.68
_cell_angle_alpha   115.5
_cell_angle_beta   109.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   V2CuP
_chemical_formula_sum   'V2 Cu1 P1'
_cell_volume   50.06
_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  0.01  0.01  0.01  1.0
  V  V1  1  0.2  0.22  0.22  1.0
  Cu  Cu2  1  0.83  0.85  0.85  1.0
  P  P3  1  0.2  0.2  0.2  1.0

V V Cu P
V V Cu P 0 3 o o o 0 1 o o o 1 2 o o + 1 3 o o o 