data_[Cr2Ni2As8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1170]
_cell_length_b [5.6578]
_cell_length_c [6.0543]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1117]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CrNiAs4]
_chemical_formula_sum '[Cr2 Ni2 As8]'
_cell_volume [209.5311]
_cell_formula_units_Z [2]
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
[
  Cr  Cr0  2  0.5000  0.0000  0.5000  1
  Ni  Ni1  2  0.0000  0.0000  0.0000  1
  As  As2  4  0.1169  0.6117  0.8673  1
  As  As3  4  0.3617  0.0919  0.8780  1
]