data_Sc2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.76
_cell_angle_alpha   113.2
_cell_angle_beta   113.2
_cell_angle_gamma   31.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlCo
_chemical_formula_sum   'Sc2 Tl1 Co1'
_cell_volume   79.4
_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  0.44  0.0  0.24  1.0
  Sc  Sc2  1  0.34  0.0  0.28  1.0
  Tl  Tl3  1  0.29  0.0  0.04  1.0
  Co  Co0  1  0.02  0.0  0.95  1.0

data_Sc2TlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.76
_cell_length_c   5.9
_cell_angle_alpha   113.2
_cell_angle_beta   105.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2TlCo
_chemical_formula_sum   'Sc2 Tl1 Co1'
_cell_volume   79.4
_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  0.24  0.44  1.0
  Sc  Sc1  1  0.0  0.28  0.34  1.0
  Tl  Tl2  1  0.0  0.04  0.29  1.0
  Co  Co3  1  0.0  0.95  0.02  1.0

Sc Sc Tl Co