data_Ta4Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   95.02
_cell_angle_beta   95.02
_cell_angle_gamma   145.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Cr
_chemical_formula_sum   'Ta4 Cr1'
_cell_volume   85.05
_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  Ta1  1  0.56  0.31  0.0  1.0
  Ta  Ta2  1  0.66  0.09  0.6  1.0
  Ta  Ta3  1  0.09  0.34  0.6  1.0
  Ta  Ta4  1  0.99  0.56  0.0  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Ta4Cr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   84.98
_cell_angle_beta   72.79
_cell_angle_gamma   72.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta4Cr
_chemical_formula_sum   'Ta4 Cr1'
_cell_volume   85.05
_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  0.09  0.57  0.4  1.0
  Ta  Ta1  1  0.31  0.25  0.0  1.0
  Ta  Ta2  1  0.34  0.75  0.4  1.0
  Ta  Ta3  1  0.56  0.43  0.0  1.0
  Cr  Cr4  1  0.0  0.0  0.0  1.0

Ta Ta Ta Ta Cr