data_ZrTcPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.05
_cell_angle_alpha   99.45
_cell_angle_beta   99.45
_cell_angle_gamma   33.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcPt2
_chemical_formula_sum   'Zr1 Tc1 Pt2'
_cell_volume   66.81
_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
  Zr  Zr3  1  0.86  0.0  0.18  1.0
  Tc  Tc2  1  0.27  0.0  0.68  1.0
  Pt  Pt0  1  0.4  0.0  0.0  1.0
  Pt  Pt1  1  0.68  0.0  0.6  1.0

data_ZrTcPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.91
_cell_length_c   5.05
_cell_angle_alpha   99.45
_cell_angle_beta   90.0
_cell_angle_gamma   106.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTcPt2
_chemical_formula_sum   'Zr1 Tc1 Pt2'
_cell_volume   66.81
_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
  Zr  Zr0  1  0.0  0.14  0.82  1.0
  Tc  Tc1  1  0.0  0.73  0.32  1.0
  Pt  Pt2  1  0.0  0.32  0.4  1.0
  Pt  Pt3  1  0.0  0.6  1.0  1.0

Zr Tc Pt Pt
Zr Tc Pt Pt 0 2 o o o 0 2 + o o 0 3 o o - 0 3 o o o 0 0 + - o 0 1 + o o 1 2 o o + 1 3 o o o 2 3 o o - 