data_Mn2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   4.62
_cell_angle_alpha   100.31
_cell_angle_beta   100.31
_cell_angle_gamma   35.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCo
_chemical_formula_sum   'Mn2 Tl1 Co1'
_cell_volume   52.95
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mn  Mn2  1  0.18  0.0  0.11  1.0
  Tl  Tl3  1  0.84  0.0  0.27  1.0
  Co  Co0  1  0.49  0.0  0.42  1.0

data_Mn2TlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.48
_cell_length_c   4.62
_cell_angle_alpha   100.31
_cell_angle_beta   90.0
_cell_angle_gamma   107.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2TlCo
_chemical_formula_sum   'Mn2 Tl1 Co1'
_cell_volume   52.95
_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
  Mn  Mn0  1  0.0  0.82  0.89  1.0
  Mn  Mn1  1  0.0  1.0  1.0  1.0
  Tl  Tl2  1  0.0  0.16  0.73  1.0
  Co  Co3  1  0.0  0.51  0.58  1.0

Mn Mn Tl Co
Mn Mn Tl Co 0 1 o o o 0 2 - o o 1 2 - o o 1 3 o o o 2 3 o o o 