data_[Y4Zr2Ta2]
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
  Ta  1.5000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1783]
_cell_length_b [5.1327]
_cell_length_c [9.5862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Y2ZrTa]
_chemical_formula_sum '[Y4 Zr2 Ta2]'
_cell_volume [205.5858]
_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  0.0000  0.0000  0.9853  1
  Y  Y1  2  0.0000  0.5000  0.7580  1
  Zr  Zr2  2  0.0000  0.0000  0.5308  1
  Ta  Ta3  2  0.0000  0.5000  0.2259  1
]