data_[Y2Re2As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Re  1.9000  1.3500  0.7125
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.0916]
_cell_length_b [3.8497]
_cell_length_c [8.2365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YReAs]
_chemical_formula_sum '[Y2 Re2 As2]'
_cell_volume [129.5935]
_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  1  0.2431  0.0000  0.0332  1
  Y  Y1  1  0.7423  0.0000  0.4045  1
  Re  Re2  1  0.0634  0.0000  0.7142  1
  Re  Re3  1  0.7325  0.5000  0.7834  1
  As  As4  1  0.3029  0.5000  0.5309  1
  As  As5  1  0.7523  0.5000  0.1104  1
]