data_NiGe2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.05
_cell_angle_alpha   100.75
_cell_angle_beta   100.75
_cell_angle_gamma   40.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Pt
_chemical_formula_sum   'Ni1 Ge2 Pt1'
_cell_volume   59.3
_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
  Ge  Ge0  1  0.75  0.0  0.14  1.0
  Ge  Ge1  1  0.27  0.0  0.81  1.0
  Pt  Pt3  1  0.51  0.0  0.47  1.0

data_NiGe2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.28
_cell_length_c   5.05
_cell_angle_alpha   100.75
_cell_angle_beta   90.0
_cell_angle_gamma   110.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiGe2Pt
_chemical_formula_sum   'Ni1 Ge2 Pt1'
_cell_volume   59.3
_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  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.25  0.86  1.0
  Ge  Ge2  1  0.0  0.73  0.19  1.0
  Pt  Pt3  1  0.0  0.49  0.53  1.0

Ni Ge Ge Pt
Ni Ge Ge Pt 0 1 - o o 0 2 o o - 1 3 o o o 2 3 o o o 