data_[Er24Ge3Te12P9]
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
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2223]
_cell_length_b [8.2223]
_cell_length_c [20.9520]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Er8GeTe4P3]
_chemical_formula_sum '[Er24 Ge3 Te12 P9]'
_cell_volume [1226.7045]
_cell_formula_units_Z [3]
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  18  0.0023  0.5012  0.2624  1.0
  Er  Er1  6  0.0000  0.0000  0.2635  1.0
  Ge  Ge2  3  0.0000  0.0000  0.0000  1.0
  Te  Te3  9  0.0000  0.5000  0.5000  1.0
  Te  Te4  3  -0.0000  -0.0000  0.5000  1.0
  P  P5  9  0.0000  0.5000  0.0000  1.0
]