data_[Zr2Zn2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7608]
_cell_length_b [3.6562]
_cell_length_c [3.9034]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8417]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrZnAs2]
_chemical_formula_sum '[Zr2 Zn2 As4]'
_cell_volume [153.2312]
_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
[
  Zr  Zr0  2  0.2121  0.5000  0.1394  1.0
  Zn  Zn1  2  0.0030  0.5000  0.5992  1.0
  As  As2  2  0.0090  0.0000  0.1104  1.0
  As  As3  2  0.2758  0.0000  0.6510  1.0
]