data_[Mn2Tl4Mo2]
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
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0869]
_cell_length_b [4.8788]
_cell_length_c [10.9529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [MnTl2Mo]
_chemical_formula_sum '[Mn2 Tl4 Mo2]'
_cell_volume [164.9573]
_cell_formula_units_Z [2]
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  0.0000  0.0000  0.5432  1
  Tl  Tl1  2  0.0000  0.0000  0.9761  1
  Tl  Tl2  2  0.0000  0.5000  0.7592  1
  Mo  Mo3  2  0.0000  0.5000  0.2215  1
]