data_Nb2ZnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   134.18
_cell_angle_beta   134.18
_cell_angle_gamma   66.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2ZnPt
_chemical_formula_sum   'Nb2 Zn1 Pt1'
_cell_volume   65.32
_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
  Nb  Nb0  1  0.97  0.0  0.11  1.0
  Nb  Nb1  1  0.0  0.97  0.11  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.22  1.0

data_Nb2ZnPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.05
_cell_angle_alpha   90.0
_cell_angle_beta   123.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2ZnPt
_chemical_formula_sum   'Nb4 Zn2 Pt2'
_cell_volume   130.64
_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
  Nb  Nb0  4  0.02  0.02  0.14  1.0
  Zn  Zn1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.22  1.0

Nb Nb Zn Pt