data_[Re7P10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [7.1688]
_cell_length_b [7.1688]
_cell_length_c [19.4366]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Re7P10]
_chemical_formula_sum '[Re7 P10]'
_cell_volume [865.0493]
_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  6  0.2050  0.7735  0.5234  1
  Re  Re1  1  0.0000  0.0000  0.5999  1
  P  P2  6  0.2209  0.4554  0.3993  1
  P  P3  3  0.0000  0.3131  0.6275  1
  P  P4  1  0.0000  0.0000  0.4813  1
]