data_[Y4Cr2As6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [4.0174]
_cell_length_b [8.0747]
_cell_length_c [20.4674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [Y2CrAs3]
_chemical_formula_sum '[Y4 Cr2 As6]'
_cell_volume [663.9469]
_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
[
  Y  Y0  2  0.0000  0.0000  0.1034  1
  Y  Y1  2  0.0000  0.5000  0.1336  1
  Cr  Cr2  2  0.5000  0.3035  0.0000  1
  As  As3  4  0.5000  0.2513  0.1311  1
  As  As4  1  0.0000  0.5000  0.0000  1
  As  As5  1  0.5000  0.0000  0.0000  1
]