data_[Lu3Tl3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Tl  1.6200  1.9000  1.3325
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [5.1737]
_cell_length_b [10.2076]
_cell_length_c [18.9858]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Lu3Tl3As4]
_chemical_formula_sum '[Lu3 Tl3 As4]'
_cell_volume [1002.6592]
_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
[
  Lu  Lu0  2  0.5000  0.2631  0.5186  1
  Lu  Lu1  1  0.0000  0.5000  0.4791  1
  Tl  Tl2  2  0.0000  0.1602  0.4091  1
  Tl  Tl3  1  0.0000  0.0000  0.6191  1
  As  As4  2  0.0000  0.2865  0.5652  1
  As  As5  1  0.5000  0.0000  0.4808  1
  As  As6  1  0.5000  0.5000  0.4353  1
]