data_[Y1Cr2Cl1]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.4439]
_cell_length_b [4.5852]
_cell_length_c [5.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7512]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YCr2Cl]
_chemical_formula_sum '[Y1 Cr2 Cl1]'
_cell_volume [83.2182]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.0000  1
  Cr  Cr1  2  0.1210  0.0000  0.2671  1
  Cl  Cl2  1  0.0000  0.5000  0.5000  1
]