data_MnAsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   4.3
_cell_angle_alpha   107.46
_cell_angle_beta   107.46
_cell_angle_gamma   41.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsPt2
_chemical_formula_sum   'Mn1 As1 Pt2'
_cell_volume   63.77
_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  Mn1  1  0.48  0.0  0.86  1.0
  As  As0  1  0.84  0.0  0.24  1.0
  Pt  Pt2  1  0.98  0.0  0.17  1.0
  Pt  Pt3  1  0.2  0.0  0.84  1.0

data_MnAsPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.3
_cell_length_c   4.84
_cell_angle_alpha   107.46
_cell_angle_beta   110.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsPt2
_chemical_formula_sum   'Mn1 As1 Pt2'
_cell_volume   63.77
_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  0.86  0.48  1.0
  As  As1  1  0.0  0.24  0.84  1.0
  Pt  Pt2  1  0.0  0.17  0.98  1.0
  Pt  Pt3  1  0.0  0.84  0.2  1.0

Mn As Pt Pt
Mn As Pt Pt 0 3 o o o 1 2 o o o 