data_[Tl1P1Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [2.9365]
_cell_length_b [3.6105]
_cell_length_c [6.6671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TlPOs2]
_chemical_formula_sum '[Tl1 P1 Os2]'
_cell_volume [70.6820]
_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
[
  Tl  Tl0  1  0.0000  0.5000  0.5000  1
  P  P1  1  0.5000  0.5000  0.0000  1
  Os  Os2  2  0.2510  0.0000  0.1732  1
]