data_MnTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTePt2
_chemical_formula_sum   'Mn1 Te1 Pt2'
_cell_volume   71.09
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.85  0.0  0.0  1.0
  Pt  Pt1  1  0.42  0.73  0.8  1.0
  Pt  Pt2  1  0.42  0.27  0.8  1.0

data_MnTePt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   101.28
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTePt2
_chemical_formula_sum   'Mn1 Te1 Pt2'
_cell_volume   71.09
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.85  0.0  1.0
  Pt  Pt2  1  0.8  0.42  0.27  1.0
  Pt  Pt3  1  0.8  0.42  0.73  1.0

Mn Te Pt Pt
Mn Te Pt Pt 0 1 - o o 0 2 o - - 0 3 o o - 1 2 o - - 1 3 o o - 2 3 o + o 2 3 o o o 