data_YZrTa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   2.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrTa2
_chemical_formula_sum   'Y1 Zr1 Ta2'
_cell_volume   87.14
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.01  0.0  0.0  1.0
  Ta  Ta0  1  0.51  0.56  0.48  1.0
  Ta  Ta1  1  0.51  0.44  0.48  1.0

data_YZrTa2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   5.73
_cell_length_b   2.97
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   116.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YZrTa2
_chemical_formula_sum   'Y1 Zr1 Ta2'
_cell_volume   87.14
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  1.0
  Zr  Zr1  1  0.01  0.0  0.0  1.0
  Ta  Ta2  1  0.51  0.5  0.44  1.0
  Ta  Ta3  1  0.51  0.5  0.56  1.0

Y Zr Ta Ta