data_[Yb1In3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  In  1.7800  1.5500  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3779]
_cell_length_b [5.7280]
_cell_length_c [20.8916]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [YbIn3As4]
_chemical_formula_sum '[Yb1 In3 As4]'
_cell_volume [523.8874]
_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  0.5000  0.5000  0.5581  1
  In  In1  2  0.5000  0.2494  0.3689  1
  In  In2  1  0.0000  0.0000  0.6218  1
  As  As3  2  0.0000  0.2807  0.4634  1
  As  As4  1  0.0000  0.5000  0.6509  1
  As  As5  1  0.5000  0.0000  0.5045  1
]