data_[Mn1Tl1Mo1Os1Cl1]
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
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.1121]
_cell_length_b [5.3392]
_cell_length_c [6.1810]
_cell_angle_alpha [85.3078]
_cell_angle_beta [76.0834]
_cell_angle_gamma [85.5894]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnTlMoOsCl]
_chemical_formula_sum '[Mn1 Tl1 Mo1 Os1 Cl1]'
_cell_volume [99.1818]
_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  0.5434  0.5149  0.0424  1
  Tl  Tl1  1  0.8188  0.0030  0.3578  1
  Mo  Mo2  1  0.1246  0.7826  0.7619  1
  Os  Os3  1  0.5064  0.0546  0.9514  1
  Cl  Cl4  1  0.3024  0.4877  0.4474  1
]