data_Nb2CoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   40.38
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoP
_chemical_formula_sum   'Nb2 Co1 P1'
_cell_volume   57.76
_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  0.25  1.0
  Nb  Nb2  1  0.75  0.0  0.84  1.0
  Co  Co0  1  0.75  0.0  0.22  1.0
  P  P3  1  0.0  0.0  0.89  1.0

data_Nb2CoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.5
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   110.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CoP
_chemical_formula_sum   'Nb2 Co1 P1'
_cell_volume   57.76
_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  0.16  0.75  0.16  1.0
  Nb  Nb1  1  0.75  0.0  0.75  1.0
  Co  Co2  1  0.78  0.75  0.78  1.0
  P  P3  1  0.11  0.0  0.11  1.0

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