data_NiAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   141.72
_cell_angle_beta   141.72
_cell_angle_gamma   55.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiAs2Pb
_chemical_formula_sum   'Ni1 As2 Pb1'
_cell_volume   79.45
_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  Ni2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.94  0.63  1.0
  As  As1  1  0.94  0.0  0.63  1.0
  Pb  Pb3  1  0.0  0.0  0.25  1.0

data_NiAs2Pb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   117.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiAs2Pb
_chemical_formula_sum   'Ni2 As4 Pb2'
_cell_volume   158.89
_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+1/2, y+1/2, z'
  4  '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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  As  As1  4  0.47  0.47  0.32  1.0
  Pb  Pb2  2  0.0  0.0  0.75  1.0

Ni As As Pb