data_[Er12P4Pt2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2390]
_cell_length_b [3.9132]
_cell_length_c [7.9412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6P2PtS3]
_chemical_formula_sum '[Er12 P4 Pt2 S6]'
_cell_volume [520.8406]
_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  0.0012  0.0000  0.2506  1.0
  Er  Er1  4  0.1680  0.5000  0.0897  1.0
  Er  Er2  4  0.1696  0.5000  0.5786  1.0
  P  P3  4  0.1666  0.0000  0.3342  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  S  S5  4  0.1689  0.0000  0.8320  1.0
  S  S6  2  0.0000  0.5000  0.5000  1.0
]