data_CoNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   3.37
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2As
_chemical_formula_sum   'Co1 Ni2 As1'
_cell_volume   46.96
_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  Co1  1  0.0  0.0  0.79  1.0
  Ni  Ni2  1  0.37  0.69  0.02  1.0
  Ni  Ni3  1  0.0  0.0  0.22  1.0
  As  As0  1  0.37  0.69  0.59  1.0

data_CoNi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   3.37
_cell_length_c   5.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi2As
_chemical_formula_sum   'Co1 Ni2 As1'
_cell_volume   46.96
_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  0.0  0.0  0.79  1.0
  Ni  Ni1  1  0.0  0.0  0.22  1.0
  Ni  Ni2  1  0.37  0.69  0.02  1.0
  As  As3  1  0.37  0.69  0.59  1.0

Co Ni Ni As