data_MgTePt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTePt2
_chemical_formula_sum   'Mg1 Te1 Pt2'
_cell_volume   74.84
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.33  1.0
  Pt  Pt1  1  0.35  0.0  0.49  1.0
  Pt  Pt2  1  0.35  0.0  0.17  1.0

data_MgTePt2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgTePt2
_chemical_formula_sum   'Mg1 Te1 Pt2'
_cell_volume   74.85
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.33  1.0
  Pt  Pt2  1  0.35  0.0  0.17  1.0
  Pt  Pt3  1  0.35  0.0  0.49  1.0

Mg Te Pt Pt