data_[Zr4Mn4Tl4F28]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.7827]
_cell_length_b [11.1903]
_cell_length_c [8.4051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ZrMnTlF7]
_chemical_formula_sum '[Zr4 Mn4 Tl4 F28]'
_cell_volume [637.9502]
_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
[
  Zr  Zr0  4  0.0000  0.1897  0.2500  1.0
  Mn  Mn1  4  0.0000  0.1908  0.7500  1.0
  Tl  Tl2  4  0.0000  0.5000  0.0000  1.0
  F  F3  8  0.0000  0.1975  0.0056  1.0
  F  F4  8  0.1825  0.3461  0.2500  1.0
  F  F5  8  0.1982  0.3584  0.7500  1.0
  F  F6  4  0.0000  0.0047  0.2500  1.0
]