data_[Zn2Co6As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [2.8173]
_cell_length_b [19.5177]
_cell_length_c [13.1120]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Zn(CoAs)3]
_chemical_formula_sum '[Zn2 Co6 As6]'
_cell_volume [720.9866]
_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  0.6157  0.6294  1
  Co  Co1  2  0.0000  0.4570  0.8385  1
  Co  Co2  2  0.0000  0.4575  0.2308  1
  Co  Co3  2  0.0000  0.4902  0.0292  1
  As  As4  2  0.0000  0.4513  0.4054  1
  As  As5  2  0.0000  0.4566  0.6603  1
  As  As6  2  0.0000  0.6101  0.4377  1
]