data_[Be4Re2P6]
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 [Pmc2_1]
_cell_length_a [19.6831]
_cell_length_b [4.0314]
_cell_length_c [6.0224]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Be2ReP3]
_chemical_formula_sum '[Be4 Re2 P6]'
_cell_volume [477.8876]
_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
[
  Be  Be0  4  0.3924  0.2132  0.5764  1
  Re  Re1  2  0.5000  0.0864  0.8777  1
  P  P2  4  0.3810  0.2682  0.9293  1
  P  P3  2  0.5000  0.4205  0.5534  1
]