data_[Y12P4Rh2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.7505]
_cell_length_b [4.0180]
_cell_length_c [8.2518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1016]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6P2RhSe3]
_chemical_formula_sum '[Y12 P4 Rh2 Se6]'
_cell_volume [570.8019]
_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
[
  Y  Y0  4  0.0042  0.0000  0.2396  1.0
  Y  Y1  4  0.1613  0.5000  0.0956  1.0
  Y  Y2  4  0.1719  0.5000  0.5714  1.0
  P  P3  4  0.1667  0.0000  0.3350  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1687  0.0000  0.8318  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]