data_[Tl4Cr2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cr  1.6600  1.4000  0.9400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5025]
_cell_length_b [3.0638]
_cell_length_c [5.5459]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2CrMo]
_chemical_formula_sum '[Tl4 Cr2 Mo2]'
_cell_volume [158.9014]
_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
[
  Tl  Tl0  4  0.2496  0.5000  0.7494  1
  Cr  Cr1  2  0.0000  0.5000  0.0000  1
  Mo  Mo2  2  0.0000  0.0000  0.5000  1
]