data_[Lu28Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.7327]
_cell_length_b [12.2369]
_cell_length_c [20.0317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Lu7Te]
_chemical_formula_sum '[Lu28 Te4]'
_cell_volume [914.9798]
_cell_formula_units_Z [4]
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  8  0.0000  0.0196  0.1102  1.0
  Lu  Lu1  8  0.0000  0.2462  0.6437  1.0
  Lu  Lu2  8  0.0000  0.3582  0.0124  1.0
  Lu  Lu3  4  0.0000  0.4352  0.2500  1.0
  Te  Te4  4  0.0000  0.1495  0.2500  1.0
]