data_[Lu4As2Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2734]
_cell_length_b [9.2071]
_cell_length_c [18.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Lu4As2Se3]
_chemical_formula_sum '[Lu4 As2 Se3]'
_cell_volume [896.7594]
_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  0.1549  0.2192  0.5089  1
  Lu  Lu1  1  0.6078  0.0000  0.4356  1
  Lu  Lu2  1  0.6449  0.5000  0.5587  1
  As  As3  1  0.1064  0.0000  0.3989  1
  As  As4  1  0.1444  0.5000  0.5868  1
  Se  Se5  2  0.6486  0.2921  0.4591  1
  Se  Se6  1  0.3776  0.0000  0.5841  1
]