data_[Mn3Tl7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [9.0873]
_cell_length_b [9.0873]
_cell_length_c [17.8251]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Mn3Tl7]
_chemical_formula_sum '[Mn3 Tl7]'
_cell_volume [1274.7839]
_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  2  0.3333  0.6667  0.5156  1
  Mn  Mn1  1  0.0000  0.0000  0.5228  1
  Tl  Tl2  6  0.0094  0.6720  0.5136  1
  Tl  Tl3  1  0.0000  0.0000  0.3643  1
]