data_[Y2Cu1Ni3As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1507]
_cell_length_b [4.1507]
_cell_length_c [9.6066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Y2CuNi3As4]
_chemical_formula_sum '[Y2 Cu1 Ni3 As4]'
_cell_volume [165.5078]
_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
[
  Y  Y0  2  0.0000  0.5000  0.7500  1
  Cu  Cu1  1  0.5000  0.5000  0.5000  1
  Ni  Ni2  2  0.0000  0.5000  0.1214  1
  Ni  Ni3  1  0.0000  0.0000  0.5000  1
  As  As4  2  0.0000  0.5000  0.3643  1
  As  As5  1  0.0000  0.0000  0.0000  1
  As  As6  1  0.5000  0.5000  0.0000  1
]