data_[Re4As4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8839]
_cell_length_b [6.2665]
_cell_length_c [6.2003]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ReAsP]
_chemical_formula_sum '[Re4 As4 P4]'
_cell_volume [201.1277]
_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  4  0.2667  0.0043  0.0057  1.0
  As  As1  4  0.1667  0.6201  0.8420  1.0
  P  P2  4  0.3354  0.1367  0.6788  1.0
]