data_[Zr2Si2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3985]
_cell_length_b [3.7617]
_cell_length_c [3.8386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8314]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrSiAs2]
_chemical_formula_sum '[Zr2 Si2 As4]'
_cell_volume [150.1373]
_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  0.2061  0.5000  0.8660  1.0
  Si  Si1  2  0.0128  0.5000  0.3662  1.0
  As  As2  2  0.2851  0.0000  0.3711  1.0
  As  As3  2  0.4960  0.5000  0.8967  1.0
]