data_[Mn4Tl4Ni4Te12]
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
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9359]
_cell_length_b [14.2830]
_cell_length_c [10.9188]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [MnTlNiTe3]
_chemical_formula_sum '[Mn4 Tl4 Ni4 Te12]'
_cell_volume [613.8229]
_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
[
  Mn  Mn0  4  0.0000  0.4301  0.7500  1
  Tl  Tl1  4  0.0000  0.2403  0.2500  1
  Ni  Ni2  4  0.0000  0.0000  0.0000  1
  Te  Te3  8  0.0000  0.3776  0.5200  1
  Te  Te4  4  0.0000  0.0535  0.7500  1
]