data_[Er16Ge10P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.6793]
_cell_length_b [8.6793]
_cell_length_c [8.7282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Er8Ge5P]
_chemical_formula_sum '[Er16 Ge10 P2]'
_cell_volume [657.4986]
_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
[
  Er  Er0  8  0.0656  0.1885  0.8071  1
  Er  Er1  8  0.0682  0.3170  0.4414  1
  Ge  Ge2  8  0.1247  0.2497  0.1245  1
  Ge  Ge3  2  0.0000  0.0000  0.5000  1
  P  P4  2  0.0000  0.5000  0.7500  1
]