data_[Yb1Gd1As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.0653]
_cell_length_b [4.0653]
_cell_length_c [18.1697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [YbGdAs2]
_chemical_formula_sum '[Yb1 Gd1 As2]'
_cell_volume [300.2874]
_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
[
  Yb  Yb0  1  0.0000  0.0000  0.4225  1
  Gd  Gd1  1  0.5000  0.5000  0.5752  1
  As  As2  1  0.0000  0.0000  0.5884  1
  As  As3  1  0.5000  0.5000  0.4140  1
]