data_ZrTi2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   148.77
_cell_angle_beta   135.7
_cell_angle_gamma   55.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2C
_chemical_formula_sum   'Zr1 Ti2 C1'
_cell_volume   62.01
_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
  Zr  Zr3  1  0.0  0.1  0.77  1.0
  Ti  Ti1  1  0.0  0.1  0.05  1.0
  Ti  Ti2  1  0.0  0.0  0.49  1.0
  C  C0  1  0.0  0.0  0.49  1.0

data_ZrTi2C
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.2
_cell_length_c   5.57
_cell_angle_alpha   112.15
_cell_angle_beta   105.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2C
_chemical_formula_sum   'Zr1 Ti2 C1'
_cell_volume   62.01
_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
  Zr  Zr0  1  0.23  0.33  0.33  1.0
  Ti  Ti1  1  0.51  0.51  0.51  1.0
  Ti  Ti2  1  0.95  0.05  0.05  1.0
  C  C3  1  0.51  0.51  0.51  1.0

Zr Ti Ti C 0 3 o o o 0 2 o o o 0 1 o o + 2 3 o o o 