data_Ta2ReMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.48
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReMo
_chemical_formula_sum   'Ta2 Re1 Mo1'
_cell_volume   66.64
_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
  Ta  Ta2  1  0.05  0.24  0.95  1.0
  Ta  Ta3  1  0.9  0.24  0.32  1.0
  Re  Re1  1  0.97  0.0  0.64  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Ta2ReMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.48
_cell_length_c   5.35
_cell_angle_alpha   90.0
_cell_angle_beta   99.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ReMo
_chemical_formula_sum   'Ta2 Re1 Mo1'
_cell_volume   66.64
_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
  Ta  Ta0  1  0.05  0.24  0.95  1.0
  Ta  Ta1  1  0.9  0.24  0.32  1.0
  Re  Re2  1  0.97  0.0  0.64  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

Ta Ta Re Mo