data_[Na4Mn4Tl4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3550]
_cell_length_b [14.1655]
_cell_length_c [6.7188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NaMnTlSe3]
_chemical_formula_sum '[Na4 Mn4 Tl4 Se12]'
_cell_volume [700.0070]
_cell_formula_units_Z [4]
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
[
  Na  Na0  4  0.0000  0.4069  0.2500  1.0
  Mn  Mn1  4  0.0000  0.0445  0.2500  1.0
  Tl  Tl2  4  0.0000  0.2082  0.7500  1.0
  Se  Se3  8  0.2233  0.0000  0.0000  1.0
  Se  Se4  4  0.0000  0.2094  0.2500  1.0
]