data_[Re4Ge4P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1850]
_cell_length_b [2.9605]
_cell_length_c [6.6021]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReGeP]
_chemical_formula_sum '[Re4 Ge4 P4]'
_cell_volume [206.7723]
_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  0.2415  0.0000  0.3118  1
  Ge  Ge1  4  0.1376  0.0000  0.8516  1
  P  P2  4  0.0855  0.5000  0.3048  1
]