data_[Er12Ge4Pt2Se6]
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
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.9869]
_cell_length_b [4.0660]
_cell_length_c [8.2499]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er6Ge2PtSe3]
_chemical_formula_sum '[Er12 Ge4 Pt2 Se6]'
_cell_volume [581.6568]
_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  0.0013  0.0000  0.2401  1
  Er  Er1  4  0.1639  0.5000  0.0893  1
  Er  Er2  4  0.1698  0.5000  0.5743  1
  Ge  Ge3  4  0.1651  0.0000  0.3305  1
  Pt  Pt4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.1687  0.0000  0.8314  1
  Se  Se6  2  0.0000  0.5000  0.5000  1
]