data_TaMoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   2.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoAs
_chemical_formula_sum   'Ta1 Mo1 As1'
_cell_volume   50.37
_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  0.26  0.3  0.13  1.0
  Mo  Mo1  1  0.0  0.6  0.41  1.0
  As  As0  1  0.0  0.0  0.32  1.0

data_TaMoAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaMoAs
_chemical_formula_sum   'Ta1 Mo1 As1'
_cell_volume   50.37
_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  0.13  0.26  0.3  1.0
  Mo  Mo1  1  0.41  0.0  0.6  1.0
  As  As2  1  0.32  0.0  0.0  1.0

Ta Mo As