data_[Co1Ni3As3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.1842]
_cell_length_b [18.5377]
_cell_length_c [6.3157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Co(NiAs)3]
_chemical_formula_sum '[Co1 Ni3 As3]'
_cell_volume [372.8029]
_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
[
  Co  Co0  1  0.0000  0.5000  0.1528  1
  Ni  Ni1  2  0.0000  0.4295  0.7343  1
  Ni  Ni2  1  0.5000  0.5000  0.4880  1
  As  As3  2  0.0000  0.4046  0.3782  1
  As  As4  1  0.5000  0.5000  0.9016  1
]