data_[Lu8Zr8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.2938]
_cell_length_b [6.6996]
_cell_length_c [11.6547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [LuZr]
_chemical_formula_sum '[Lu8 Zr8]'
_cell_volume [413.3537]
_cell_formula_units_Z [8]
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  0.0000  0.2516  0.0851  1
  Lu  Lu1  2  0.0000  0.5000  0.3384  1
  Lu  Lu2  2  0.0000  0.5000  0.8201  1
  Zr  Zr3  4  0.0000  0.2501  0.5807  1
  Zr  Zr4  2  0.0000  0.0000  0.3481  1
  Zr  Zr5  2  0.0000  0.0000  0.8251  1
]