data_[Re4Ag4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ag  1.9300  1.6000  1.0867
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.2575]
_cell_length_b [2.9442]
_cell_length_c [8.5454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8985]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReAgP]
_chemical_formula_sum '[Re4 Ag4 P4]'
_cell_volume [207.6430]
_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
[
  Re  Re0  2  0.0328  0.0000  0.8643  1
  Re  Re1  2  0.2203  0.5000  0.6503  1
  Ag  Ag2  2  0.2101  0.0000  0.3599  1
  Ag  Ag3  2  0.4896  0.0000  0.1583  1
  P  P4  2  0.2496  0.5000  0.9292  1
  P  P5  2  0.4401  0.0000  0.6301  1
]