data_NbCoP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.26
_cell_length_b   7.26
_cell_length_c   7.26
_cell_angle_alpha   23.79
_cell_angle_beta   23.79
_cell_angle_gamma   23.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoP2
_chemical_formula_sum   'Nb1 Co1 P2'
_cell_volume   54.68
_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  0.0  0.0  0.58  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.69  1.0
  P  P3  1  0.0  0.0  0.46  1.0

data_NbCoP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   7.26
_cell_angle_alpha   90.0
_cell_angle_beta   103.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbCoP2
_chemical_formula_sum   'Nb2 Co2 P4'
_cell_volume   109.36
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.42  1.0
  Co  Co1  2  0.0  0.0  0.0  1.0
  P  P2  2  0.0  0.0  0.31  1.0
  P  P3  2  0.0  0.0  0.54  1.0

Nb Co P P