data_NbTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   133.95
_cell_angle_beta   133.95
_cell_angle_gamma   67.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbTePt2
_chemical_formula_sum   'Nb1 Te1 Pt2'
_cell_volume   71.79
_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  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0
  Pt  Pt1  1  0.03  0.0  0.17  1.0
  Pt  Pt2  1  0.0  0.03  0.17  1.0

data_NbTePt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.2
_cell_angle_alpha   90.0
_cell_angle_beta   123.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbTePt2
_chemical_formula_sum   'Nb2 Te2 Pt4'
_cell_volume   143.57
_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  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.0  0.0  0.33  1.0
  Pt  Pt2  4  0.48  0.48  0.13  1.0

Nb Te Pt Pt