data_TaCrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   4.82
_cell_angle_alpha   134.86
_cell_angle_beta   134.86
_cell_angle_gamma   65.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrSi2
_chemical_formula_sum   'Ta1 Cr1 Si2'
_cell_volume   55.56
_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  0.85  0.0  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.05  1.0
  Si  Si1  1  0.0  0.85  0.03  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0

data_TaCrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   3.7
_cell_length_c   4.82
_cell_angle_alpha   112.57
_cell_angle_beta   112.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrSi2
_chemical_formula_sum   'Ta1 Cr1 Si2'
_cell_volume   55.56
_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  0.03  0.17  0.17  1.0
  Cr  Cr1  1  0.05  0.05  0.05  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.17  0.03  0.17  1.0

Ta Cr Si Si