data_TaCrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.19
_cell_angle_alpha   144.9
_cell_angle_beta   129.16
_cell_angle_gamma   63.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrMo2
_chemical_formula_sum   'Ta1 Cr1 Mo2'
_cell_volume   61.77
_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  0.0  0.42  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.23  0.27  1.0
  Mo  Mo2  1  0.57  0.0  0.15  1.0

data_TaCrMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.46
_cell_length_c   5.19
_cell_angle_alpha   115.42
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrMo2
_chemical_formula_sum   'Ta1 Cr1 Mo2'
_cell_volume   61.77
_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  0.0  0.42  0.42  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.15  0.59  1.0
  Mo  Mo3  1  0.77  0.04  0.04  1.0

Ta Cr Mo Mo
Ta Cr Mo Mo 0 2 o o o 0 3 - o o 1 2 o o o 