data_[Zn2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.2431]
_cell_length_b [4.2587]
_cell_length_c [5.8274]
_cell_angle_alpha [106.8299]
_cell_angle_beta [90.2451]
_cell_angle_gamma [119.6879]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZnAs]
_chemical_formula_sum '[Zn2 As2]'
_cell_volume [86.1694]
_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  0.2320  0.0727  0.7051  1.0
  As  As1  2  0.0863  0.5520  0.2228  1.0
]