data_[Re2B2As2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.2056]
_cell_length_b [3.0723]
_cell_length_c [3.2399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ReBAsP]
_chemical_formula_sum '[Re2 B2 As2 P2]'
_cell_volume [110.6775]
_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
[
  Re  Re0  2  0.1558  0.5000  0.9060  1
  B  B1  2  0.3579  0.5000  0.2649  1
  As  As2  2  0.4740  0.5000  0.8208  1
  P  P3  2  0.2498  0.0000  0.4306  1
]