data_[Yb1Lu2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Lu  1.2700  1.7500  1.0010
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9226]
_cell_length_b [4.0621]
_cell_length_c [7.1628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Yb(LuSe2)2]
_chemical_formula_sum '[Yb1 Lu2 Se4]'
_cell_volume [191.7163]
_cell_formula_units_Z [1]
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
[
  Yb  Yb0  1  0.5000  0.0000  0.5000  1.0
  Lu  Lu1  1  0.0000  0.0000  0.0000  1.0
  Lu  Lu2  1  0.5000  0.5000  0.0000  1.0
  Se  Se3  2  0.2405  0.5000  0.2395  1.0
  Se  Se4  2  0.2589  0.0000  0.7705  1.0
]