data_CoNiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   2.92
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNiAs2
_chemical_formula_sum   'Co1 Ni1 As2'
_cell_volume   54.18
_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  0.0  1.0
  Ni  Ni3  1  0.0  0.0  0.19  1.0
  As  As0  1  0.0  0.0  0.82  1.0
  As  As1  1  0.0  0.0  0.57  1.0

data_CoNiAs2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   4.01
_cell_length_b   4.24
_cell_length_c   6.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   CoNiAs2
_chemical_formula_sum   'Co2 Ni2 As4'
_cell_volume   108.35
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Ni  Ni1  2  0.0  0.0  0.81  1.0
  As  As2  2  0.0  0.0  0.18  1.0
  As  As3  2  0.0  0.0  0.43  1.0

Co Ni As As
Co Ni As As 0 2 o o - 0 1 o o o 2 3 o o o 