data_[Tb1Y1Zr2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8866]
_cell_length_b [3.9713]
_cell_length_c [6.9665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TbY(ZrAs2)2]
_chemical_formula_sum '[Tb1 Y1 Zr2 As4]'
_cell_volume [179.8210]
_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
[
  Tb  Tb0  1  0.5000  0.5000  0.0000  1
  Y  Y1  1  0.0000  0.0000  0.0000  1
  Zr  Zr2  1  0.0000  0.5000  0.5000  1
  Zr  Zr3  1  0.5000  0.0000  0.5000  1
  As  As4  2  0.2450  0.0000  0.7360  1
  As  As5  2  0.2543  0.5000  0.2637  1
]