data_[La2Hf2Cu2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hf  1.3000  1.5500  0.8500
  Cu  1.9000  1.3500  0.8200
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.0497]
_cell_length_b [3.9487]
_cell_length_c [8.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8446]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LaHfCuAs3]
_chemical_formula_sum '[La2 Hf2 Cu2 As6]'
_cell_volume [270.3503]
_cell_formula_units_Z [2]
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
[
  La  La0  2  0.1956  0.2500  0.2434  1.0
  Hf  Hf1  2  0.3257  0.7500  0.8480  1.0
  Cu  Cu2  2  0.0872  0.2500  0.5916  1.0
  As  As3  2  0.1026  0.2500  0.8727  1.0
  As  As4  2  0.2365  0.7500  0.5274  1.0
  As  As5  2  0.4475  0.7500  0.1687  1.0
]