data_ZnNi2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   4.78
_cell_angle_alpha   100.39
_cell_angle_beta   100.39
_cell_angle_gamma   40.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2As
_chemical_formula_sum   'Zn1 Ni2 As1'
_cell_volume   52.39
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.61  0.0  0.22  1.0
  Ni  Ni2  1  0.24  0.0  0.47  1.0
  As  As0  1  0.43  0.0  0.34  1.0

data_ZnNi2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.14
_cell_length_c   4.78
_cell_angle_alpha   100.39
_cell_angle_beta   90.0
_cell_angle_gamma   110.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2As
_chemical_formula_sum   'Zn1 Ni2 As1'
_cell_volume   52.39
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.39  0.78  1.0
  Ni  Ni2  1  0.0  0.76  0.53  1.0
  As  As3  1  0.0  0.57  0.66  1.0

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