data_CrNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.22
_cell_angle_alpha   102.06
_cell_angle_beta   102.06
_cell_angle_gamma   40.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiAs2
_chemical_formula_sum   'Cr1 Ni1 As2'
_cell_volume   55.34
_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
  Cr  Cr2  1  0.69  0.0  0.7  1.0
  Ni  Ni3  1  0.48  0.0  0.34  1.0
  As  As0  1  0.12  0.0  0.84  1.0
  As  As1  1  0.11  0.0  0.41  1.0

data_CrNiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.22
_cell_length_c   4.53
_cell_angle_alpha   102.06
_cell_angle_beta   110.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiAs2
_chemical_formula_sum   'Cr1 Ni1 As2'
_cell_volume   55.34
_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
  Cr  Cr0  1  0.0  0.7  0.69  1.0
  Ni  Ni1  1  0.0  0.34  0.48  1.0
  As  As2  1  0.0  0.41  0.11  1.0
  As  As3  1  0.0  0.84  0.12  1.0

Cr Ni As As