data_TaOsPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.4
_cell_length_b   9.4
_cell_length_c   9.4
_cell_angle_alpha   17.21
_cell_angle_beta   17.21
_cell_angle_gamma   17.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaOsPt2
_chemical_formula_sum   'Ta1 Os1 Pt2'
_cell_volume   63.37
_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  Ta3  1  0.0  0.0  0.88  1.0
  Os  Os0  1  0.0  0.0  0.81  1.0
  Pt  Pt1  1  0.0  0.0  0.05  1.0
  Pt  Pt2  1  0.0  0.0  0.9  1.0

data_TaOsPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.87
_cell_length_b   2.81
_cell_length_c   9.4
_cell_angle_alpha   90.0
_cell_angle_beta   99.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaOsPt2
_chemical_formula_sum   'Ta2 Os2 Pt4'
_cell_volume   126.74
_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  0.0  0.0  0.12  1.0
  Os  Os1  2  0.0  0.0  0.19  1.0
  Pt  Pt2  2  0.0  0.0  0.1  1.0
  Pt  Pt3  2  0.0  0.0  0.95  1.0

Ta Os Pt Pt
Ta Os Pt Pt 0 3 o o o 0 1 o o o 0 2 o o + 2 3 o o - 