data_[Mn1Tl1Mo1O6]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P312]
_cell_length_a [5.1922]
_cell_length_b [5.1922]
_cell_length_c [5.0360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [149]
_chemical_formula_structural [MnTlMoO6]
_chemical_formula_sum '[Mn1 Tl1 Mo1 O6]'
_cell_volume [117.5783]
_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  1  0.6667  0.3333  0.5000  1.0
  Tl  Tl1  1  0.3333  0.6667  0.0000  1.0
  Mo  Mo2  1  0.0000  0.0000  0.5000  1.0
  O  O3  6  0.3346  0.0456  0.2873  1.0
]