data_[Re2As2P2]
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 [P1]
_cell_length_a [4.3878]
_cell_length_b [4.7580]
_cell_length_c [18.9444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [107.8706]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ReAsP]
_chemical_formula_sum '[Re2 As2 P2]'
_cell_volume [376.4225]
_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  1  0.3894  0.6964  0.5337  1
  Re  Re1  1  0.4317  0.1779  0.4725  1
  As  As2  1  0.4110  0.1750  0.6066  1
  As  As3  1  0.4403  0.6718  0.3984  1
  P  P4  1  0.8334  0.5092  0.5456  1
  P  P5  1  0.8750  0.0335  0.4432  1
]