data_[Re1Sn2P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.1669]
_cell_length_b [20.1729]
_cell_length_c [4.9268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.5731]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ReSn2P3]
_chemical_formula_sum '[Re1 Sn2 P3]'
_cell_volume [314.1346]
_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
[
  Re  Re0  1  0.2127  0.0000  0.3038  1
  Sn  Sn1  2  0.3933  0.1282  0.6767  1
  P  P2  2  0.7056  0.0877  0.2045  1
  P  P3  1  0.1632  0.0000  0.8048  1
]