data_TaCr2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21
_cell_length_b   5.21
_cell_length_c   5.21
_cell_angle_alpha   139.69
_cell_angle_beta   139.69
_cell_angle_gamma   58.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Mo
_chemical_formula_sum   'Ta1 Cr2 Mo1'
_cell_volume   58.67
_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  Ta3  1  0.0  0.8  0.28  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.8  0.0  0.28  1.0
  Mo  Mo2  1  0.0  0.0  0.55  1.0

data_TaCr2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   5.21
_cell_angle_alpha   110.16
_cell_angle_beta   110.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCr2Mo
_chemical_formula_sum   'Ta1 Cr2 Mo1'
_cell_volume   58.67
_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  0.52  0.8  0.52  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.72  0.0  0.52  1.0
  Mo  Mo3  1  0.45  0.0  0.45  1.0

Ta Cr Cr Mo