data_[Tl2Re2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.0386]
_cell_length_b [3.1688]
_cell_length_c [16.4331]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [TlReP2]
_chemical_formula_sum '[Tl2 Re2 P4]'
_cell_volume [158.2310]
_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
[
  Tl  Tl0  2  0.0000  0.5000  0.1861  1
  Re  Re1  2  0.0000  0.0000  0.4521  1
  P  P2  2  0.0000  0.0000  0.0205  1
  P  P3  2  0.0000  0.5000  0.8414  1
]