data_[Er12Sb2P6S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.4579]
_cell_length_b [3.9978]
_cell_length_c [8.0550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5609]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6SbP3S2]
_chemical_formula_sum '[Er12 Sb2 P6 S4]'
_cell_volume [546.5122]
_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  0.0008  0.0000  0.7314  1.0
  Er  Er1  4  0.1654  0.5000  0.5894  1.0
  Er  Er2  4  0.1740  0.5000  0.0806  1.0
  Sb  Sb3  2  0.0000  0.5000  0.0000  1.0
  P  P4  4  0.1659  0.0000  0.8304  1.0
  P  P5  2  0.0000  0.5000  0.5000  1.0
  S  S6  4  0.1696  0.0000  0.3383  1.0
]