data_NbCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.56
_cell_angle_alpha   98.7
_cell_angle_beta   98.7
_cell_angle_gamma   37.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2As
_chemical_formula_sum   'Nb1 Co2 As1'
_cell_volume   54.05
_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  Nb3  1  0.83  0.0  0.25  1.0
  Co  Co1  1  0.09  0.0  0.13  1.0
  Co  Co2  1  0.57  0.0  0.37  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_NbCo2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.43
_cell_length_c   4.56
_cell_angle_alpha   98.7
_cell_angle_beta   90.0
_cell_angle_gamma   108.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2As
_chemical_formula_sum   'Nb1 Co2 As1'
_cell_volume   54.05
_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  0.0  0.17  0.75  1.0
  Co  Co1  1  0.0  0.43  0.63  1.0
  Co  Co2  1  0.0  0.91  0.87  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Nb Co Co As