data_NbCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.25
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoP2
_chemical_formula_sum   'Nb1 Co1 P2'
_cell_volume   55.59
_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
  Nb  Nb1  1  0.86  0.13  0.56  1.0
  Co  Co0  1  0.28  0.0  0.15  1.0
  P  P2  1  0.32  0.0  0.43  1.0
  P  P3  1  0.26  0.13  0.44  1.0

data_NbCoP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.25
_cell_length_c   4.82
_cell_angle_alpha   90.0
_cell_angle_beta   106.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoP2
_chemical_formula_sum   'Nb1 Co1 P2'
_cell_volume   55.59
_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
  Nb  Nb0  1  0.86  0.13  0.56  1.0
  Co  Co1  1  0.28  0.0  0.15  1.0
  P  P2  1  0.26  0.13  0.44  1.0
  P  P3  1  0.32  0.0  0.43  1.0

Nb Co P P
Nb Co P P 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 1 3 o o o 1 2 o o o 2 3 o o o 