data_Ni2SnAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14
_cell_length_b   3.1
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnAs
_chemical_formula_sum   'Ni2 Sn1 As1'
_cell_volume   62.53
_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
  Ni  Ni1  1  0.52  0.55  0.27  1.0
  Ni  Ni2  1  0.12  0.55  0.16  1.0
  Sn  Sn3  1  0.25  0.0  0.21  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Ni2SnAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.1
_cell_length_b   3.14
_cell_length_c   6.6
_cell_angle_alpha   103.11
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnAs
_chemical_formula_sum   'Ni2 Sn1 As1'
_cell_volume   62.53
_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
  Ni  Ni0  1  0.45  0.48  0.73  1.0
  Ni  Ni1  1  0.45  0.88  0.84  1.0
  Sn  Sn2  1  0.0  0.75  0.79  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ni Ni Sn As