data_NiTePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.67
_cell_angle_alpha   134.66
_cell_angle_beta   134.66
_cell_angle_gamma   66.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiTePt
_chemical_formula_sum   'Ni1 Te1 Pt1'
_cell_volume   50.76
_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  0.07  1.0
  Te  Te2  1  0.0  0.0  0.56  1.0
  Pt  Pt1  1  0.0  0.0  0.2  1.0

data_NiTePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   4.67
_cell_angle_alpha   90.0
_cell_angle_beta   123.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiTePt
_chemical_formula_sum   'Ni2 Te2 Pt2'
_cell_volume   101.52
_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  0.43  0.5  0.93  1.0
  Te  Te1  2  0.44  0.0  0.44  1.0
  Pt  Pt2  2  0.3  0.5  0.8  1.0

Ni Te Pt