data_Mg2TlCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   132.81
_cell_angle_beta   132.81
_cell_angle_gamma   68.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlCo
_chemical_formula_sum   'Mg2 Tl1 Co1'
_cell_volume   71.87
_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
  Mg  Mg1  1  0.0  0.06  0.12  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.06  0.0  0.12  1.0
  Co  Co0  1  0.0  0.0  0.24  1.0

data_Mg2TlCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.12
_cell_length_c   5.14
_cell_angle_alpha   113.59
_cell_angle_beta   113.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TlCo
_chemical_formula_sum   'Mg2 Tl1 Co1'
_cell_volume   71.87
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.94  0.06  0.94  1.0
  Tl  Tl2  1  0.88  0.0  0.94  1.0
  Co  Co3  1  0.76  0.0  0.76  1.0

Mg Mg Tl Co
Mg Mg Tl Co 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 