data_[Sr2Y1Hf1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Y  1.2200  1.8000  1.0400
  Hf  1.3000  1.5500  0.8500
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2081]
_cell_length_b [4.1161]
_cell_length_c [7.5171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2658]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr2YHfAs4]
_chemical_formula_sum '[Sr2 Y1 Hf1 As4]'
_cell_volume [211.7910]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.5000  1.0
  Sr  Sr1  1  0.5000  0.0000  0.5000  1.0
  Y  Y2  1  0.5000  0.5000  0.0000  1.0
  Hf  Hf3  1  0.0000  0.0000  0.0000  1.0
  As  As4  2  0.2243  0.5000  0.2117  1.0
  As  As5  2  0.2463  0.0000  0.7824  1.0
]