data_Sc2TlPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   6.29
_cell_angle_alpha   103.93
_cell_angle_beta   103.93
_cell_angle_gamma   47.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlPt
_chemical_formula_sum   'Sc2 Tl1 Pt1'
_cell_volume   90.48
_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
  Sc  Sc1  1  0.92  0.0  0.8  1.0
  Sc  Sc2  1  0.69  0.0  0.27  1.0
  Tl  Tl3  1  0.31  0.0  0.03  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_Sc2TlPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   4.51
_cell_length_c   6.29
_cell_angle_alpha   103.93
_cell_angle_beta   90.0
_cell_angle_gamma   113.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlPt
_chemical_formula_sum   'Sc2 Tl1 Pt1'
_cell_volume   90.48
_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
  Sc  Sc0  1  0.0  0.08  0.2  1.0
  Sc  Sc1  1  0.0  0.31  0.73  1.0
  Tl  Tl2  1  0.0  0.69  0.97  1.0
  Pt  Pt3  1  0.0  0.0  0.0  1.0

Sc Sc Tl Pt