data_[Er2Hf1Zr1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8124]
_cell_length_b [3.9417]
_cell_length_c [6.8934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Er2HfZrAs4]
_chemical_formula_sum '[Er2 Hf1 Zr1 As4]'
_cell_volume [174.6425]
_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
[
  Er  Er0  1  0.0000  0.5000  0.5000  1.0
  Er  Er1  1  0.5000  0.0000  0.5000  1.0
  Hf  Hf2  1  0.5000  0.5000  0.0000  1.0
  Zr  Zr3  1  0.0000  0.0000  0.0000  1.0
  As  As4  2  0.2483  0.5000  0.2384  1.0
  As  As5  2  0.2565  0.0000  0.7633  1.0
]