data_[Be4Re4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [13.1706]
_cell_length_b [3.0722]
_cell_length_c [18.6802]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeReP2]
_chemical_formula_sum '[Be4 Re4 P8]'
_cell_volume [755.8444]
_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
[
  Be  Be0  2  0.0133  0.5000  0.4562  1
  Be  Be1  2  0.3921  0.5000  0.5328  1
  Re  Re2  2  0.0883  0.0000  0.5401  1
  Re  Re3  2  0.2365  0.5000  0.4580  1
  P  P4  2  0.1165  0.0000  0.4033  1
  P  P5  2  0.2214  0.5000  0.5848  1
  P  P6  2  0.3618  0.0000  0.4244  1
  P  P7  2  0.4781  0.0000  0.6003  1
]