data_Ta2CoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   18.79
_cell_angle_beta   18.79
_cell_angle_gamma   18.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoPt
_chemical_formula_sum   'Ta2 Co1 Pt1'
_cell_volume   64.45
_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  0.09  1.0
  Ta  Ta3  1  0.0  0.0  0.33  1.0
  Co  Co0  1  0.0  0.0  0.22  1.0
  Pt  Pt1  1  0.0  0.0  0.8  1.0

data_Ta2CoPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.05
_cell_length_b   2.91
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2CoPt
_chemical_formula_sum   'Ta4 Co2 Pt2'
_cell_volume   128.9
_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  0.67  1.0
  Ta  Ta1  2  0.0  0.0  0.91  1.0
  Co  Co2  2  0.0  0.0  0.78  1.0
  Pt  Pt3  2  0.0  0.0  0.2  1.0

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