data_CuNiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   140.1
_cell_angle_beta   135.22
_cell_angle_gamma   61.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiAs
_chemical_formula_sum   'Cu1 Ni1 As1'
_cell_volume   39.09
_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
  Cu  Cu1  1  0.0  0.0  0.12  1.0
  Ni  Ni2  1  0.0  0.0  0.58  1.0
  As  As0  1  0.0  0.0  0.56  1.0

data_CuNiAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.38
_cell_length_c   4.44
_cell_angle_alpha   112.39
_cell_angle_beta   109.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNiAs
_chemical_formula_sum   'Cu1 Ni1 As1'
_cell_volume   39.09
_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
  Cu  Cu0  1  0.88  0.88  0.88  1.0
  Ni  Ni1  1  0.42  0.42  0.42  1.0
  As  As2  1  0.44  0.44  0.44  1.0

Cu Ni As
Cu Ni As 0 2 o o o 0 1 o o o 1 2 o o o 