data_[Er2Th6Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.2129]
_cell_length_b [8.3701]
_cell_length_c [7.1722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [ErTh3Pt4]
_chemical_formula_sum '[Er2 Th6 Pt8]'
_cell_volume [407.5460]
_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  2  0.0000  0.1258  0.2500  1
  Th  Th1  2  0.0000  0.3726  0.7500  1
  Th  Th2  2  0.5000  0.1241  0.7500  1
  Th  Th3  2  0.5000  0.3725  0.2500  1
  Pt  Pt4  4  0.2472  0.1226  0.9998  1
  Pt  Pt5  4  0.2490  0.3746  0.4990  1
]