data_[Lu10Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0909]
_cell_length_b [3.8897]
_cell_length_c [11.9958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2561]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu5Se7]
_chemical_formula_sum '[Lu10 Se14]'
_cell_volume [592.0101]
_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
[
  Lu  Lu0  4  0.1132  0.0000  0.4223  1.0
  Lu  Lu1  4  0.2005  0.5000  0.8140  1.0
  Lu  Lu2  2  0.0000  0.0000  0.0000  1.0
  Se  Se3  4  0.0398  0.0000  0.7846  1.0
  Se  Se4  4  0.1595  0.5000  0.0502  1.0
  Se  Se5  4  0.2420  0.5000  0.3530  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]