data_TaMnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   141.14
_cell_angle_beta   141.14
_cell_angle_gamma   56.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMnPt
_chemical_formula_sum   'Ta1 Mn1 Pt1'
_cell_volume   47.15
_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
  Ta  Ta2  1  0.0  0.0  0.78  1.0
  Mn  Mn0  1  0.0  0.0  0.03  1.0
  Pt  Pt1  1  0.0  0.0  0.91  1.0

data_TaMnPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   4.94
_cell_angle_alpha   90.0
_cell_angle_beta   118.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaMnPt
_chemical_formula_sum   'Ta2 Mn2 Pt2'
_cell_volume   94.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ta  Ta0  2  0.28  0.5  0.78  1.0
  Mn  Mn1  2  0.03  0.0  0.03  1.0
  Pt  Pt2  2  0.41  0.5  0.91  1.0

Ta Mn Pt
Ta Mn Pt 0 2 o o o 1 2 o o - 