data_[Er12Ge4Te6P2]
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 [C2/m]
_cell_length_a [18.4442]
_cell_length_b [4.1687]
_cell_length_c [8.5068]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7461]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Ge2Te3P]
_chemical_formula_sum '[Er12 Ge4 Te6 P2]'
_cell_volume [632.5357]
_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  4  0.0074  0.0000  0.2282  1.0
  Er  Er1  4  0.1580  0.5000  0.0994  1.0
  Er  Er2  4  0.1732  0.5000  0.5647  1.0
  Ge  Ge3  4  0.1660  0.0000  0.3309  1.0
  Te  Te4  4  0.1662  0.0000  0.8336  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  2  0.0000  0.5000  0.0000  1.0
]