data_TiMn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   133.24
_cell_angle_beta   133.24
_cell_angle_gamma   68.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiMn2Pt
_chemical_formula_sum   'Ti1 Mn2 Pt1'
_cell_volume   58.7
_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
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Mn  Mn0  1  0.0  0.92  1.0  1.0
  Mn  Mn1  1  0.92  0.0  1.0  1.0
  Pt  Pt2  1  0.0  0.0  1.0  1.0

data_TiMn2Pt
_symmetry_space_group_name_H-M   Fmm2
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   7.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   42
_chemical_formula_structural   TiMn2Pt
_chemical_formula_sum   'Ti4 Mn8 Pt4'
_cell_volume   234.82
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x+1/2, y, z+1/2'
  6  '-x+1/2, -y, z+1/2'
  7  '-x+1/2, y, z+1/2'
  8  'x+1/2, -y, z+1/2'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, z'
  11  '-x+1/2, y+1/2, z'
  12  'x+1/2, -y+1/2, z'
  13  'x, y+1/2, z+1/2'
  14  '-x, -y+1/2, z+1/2'
  15  '-x, y+1/2, z+1/2'
  16  'x, -y+1/2, z+1/2'
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
  Ti  Ti0  4  0.0  0.0  0.0  1.0
  Mn  Mn1  8  0.0  0.04  0.96  1.0
  Pt  Pt2  4  0.0  0.0  0.0  1.0
