data_[Th8Te10Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7416]
_cell_length_b [4.5561]
_cell_length_c [11.1966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4947]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Th4Te5Se2]
_chemical_formula_sum '[Th8 Te10 Se4]'
_cell_volume [880.0664]
_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
[
  Th  Th0  4  0.0010  0.0000  0.8069  1
  Th  Th1  4  0.1412  0.5000  0.5676  1
  Te  Te2  4  0.1708  0.0000  0.7741  1
  Te  Te3  4  0.1724  0.0000  0.3746  1
  Te  Te4  2  0.0000  0.5000  0.0000  1
  Se  Se5  4  0.0061  0.5000  0.3554  1
]