data_[Zn2Ni6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [7.9742]
_cell_length_b [19.5925]
_cell_length_c [4.9561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [Zn(NiAs)3]
_chemical_formula_sum '[Zn2 Ni6 As6]'
_cell_volume [774.3224]
_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
[
  Zn  Zn0  2  0.0000  0.5000  0.0000  1
  Ni  Ni1  4  0.0000  0.4362  0.5000  1
  Ni  Ni2  2  0.2500  0.5000  0.2497  1
  As  As3  4  0.2500  0.3828  0.3876  1
  As  As4  2  0.2500  0.5000  0.7155  1
]