data_[Nd1Dy2Zr1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Dy  1.2200  1.7500  1.1310
  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 [7.0675]
_cell_length_b [4.0856]
_cell_length_c [7.0835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2773]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NdDy2ZrAs4]
_chemical_formula_sum '[Nd1 Dy2 Zr1 As4]'
_cell_volume [193.0691]
_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
[
  Nd  Nd0  1  0.0000  0.5000  0.5000  1
  Dy  Dy1  1  0.5000  0.0000  0.5000  1
  Dy  Dy2  1  0.5000  0.5000  0.0000  1
  Zr  Zr3  1  0.0000  0.0000  0.0000  1
  As  As4  2  0.2430  0.5000  0.2366  1
  As  As5  2  0.2509  0.0000  0.7622  1
]