data_TaTePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93
_cell_length_b   5.93
_cell_length_c   5.93
_cell_angle_alpha   147.95
_cell_angle_beta   147.95
_cell_angle_gamma   45.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTePt
_chemical_formula_sum   'Ta1 Te1 Pt1'
_cell_volume   58.59
_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  Ta1  1  0.0  0.0  0.73  1.0
  Te  Te2  1  0.0  0.0  0.38  1.0
  Pt  Pt0  1  0.0  0.0  0.74  1.0

data_TaTePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   5.93
_cell_angle_alpha   90.0
_cell_angle_beta   112.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaTePt
_chemical_formula_sum   'Ta2 Te2 Pt2'
_cell_volume   117.19
_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  0.27  1.0
  Te  Te1  2  0.0  0.0  0.62  1.0
  Pt  Pt2  2  0.0  0.0  0.26  1.0

Ta Te Pt