data_[Cr2Si4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.0371]
_cell_length_b [3.1628]
_cell_length_c [4.7627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.1756]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrSi2As]
_chemical_formula_sum '[Cr2 Si4 As2]'
_cell_volume [120.3624]
_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
[
  Cr  Cr0  2  0.0000  0.5000  0.0000  1
  Si  Si1  4  0.2248  0.0000  0.1821  1
  As  As2  2  0.0000  0.0000  0.5000  1
]