data_[Y2Zr4As2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.7855]
_cell_length_b [3.5489]
_cell_length_c [5.9561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.5142]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YZr2As]
_chemical_formula_sum '[Y2 Zr4 As2]'
_cell_volume [190.0755]
_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  0.1993  0.0000  0.7685  1
  Zr  Zr1  2  0.0098  0.0000  0.0147  1
  Zr  Zr2  2  0.3049  0.5000  0.3890  1
  As  As3  2  0.4860  0.0000  0.3278  1
]