data_[Mn2Tl2P2O8]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4450]
_cell_length_b [5.6754]
_cell_length_c [7.5862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnTlPO4]
_chemical_formula_sum '[Mn2 Tl2 P2 O8]'
_cell_volume [223.5893]
_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  0.2083  0.2500  0.5387  1.0
  Tl  Tl1  2  0.3099  0.2500  0.0912  1.0
  P  P2  2  0.2495  0.7500  0.3582  1.0
  O  O3  4  0.0641  0.5320  0.3317  1.0
  O  O4  2  0.4151  0.7500  0.2230  1.0
  O  O5  2  0.4411  0.7500  0.5565  1.0
]