data_YZrTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.95
_cell_angle_alpha   94.15
_cell_angle_beta   94.15
_cell_angle_gamma   34.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrTa2
_chemical_formula_sum   'Y1 Zr1 Ta2'
_cell_volume   88.98
_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
  Y  Y2  1  0.78  0.0  0.03  1.0
  Zr  Zr3  1  0.22  0.0  0.31  1.0
  Ta  Ta0  1  0.42  0.0  0.87  1.0
  Ta  Ta1  1  0.19  0.0  0.64  1.0

data_YZrTa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   5.17
_cell_length_c   5.95
_cell_angle_alpha   94.15
_cell_angle_beta   90.0
_cell_angle_gamma   107.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrTa2
_chemical_formula_sum   'Y1 Zr1 Ta2'
_cell_volume   88.98
_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
  Y  Y0  1  0.0  0.22  0.97  1.0
  Zr  Zr1  1  0.0  0.78  0.69  1.0
  Ta  Ta2  1  0.0  0.58  0.13  1.0
  Ta  Ta3  1  0.0  0.81  0.36  1.0

Y Zr Ta Ta