data_CoNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   154.98
_cell_angle_beta   145.06
_cell_angle_gamma   43.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiAs2
_chemical_formula_sum   'Co1 Ni1 As2'
_cell_volume   62.77
_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
  Co  Co2  1  0.0  0.0  0.19  1.0
  Ni  Ni3  1  0.0  0.92  0.63  1.0
  As  As0  1  0.0  0.0  0.85  1.0
  As  As1  1  0.38  0.0  0.04  1.0

data_CoNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.83
_cell_length_c   6.38
_cell_angle_alpha   107.47
_cell_angle_beta   102.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiAs2
_chemical_formula_sum   'Co1 Ni1 As2'
_cell_volume   62.77
_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
  Co  Co0  1  0.81  0.81  0.81  1.0
  Ni  Ni1  1  0.37  0.29  0.29  1.0
  As  As2  1  0.15  0.15  0.15  1.0
  As  As3  1  0.34  0.96  0.34  1.0

Co Ni As As