data_[Cr1Ni2As4]
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 [Pmm2]
_cell_length_a [2.6346]
_cell_length_b [7.3739]
_cell_length_c [18.4056]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Cr(NiAs2)2]
_chemical_formula_sum '[Cr1 Ni2 As4]'
_cell_volume [357.5645]
_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
[
  Cr  Cr0  1  0.5000  0.5000  0.5427  1
  Ni  Ni1  2  0.0000  0.2462  0.4691  1
  As  As2  2  0.0000  0.2482  0.5966  1
  As  As3  1  0.5000  0.0000  0.4142  1
  As  As4  1  0.5000  0.5000  0.4116  1
]