data_MgTiCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   5.18
_cell_angle_alpha   90.82
_cell_angle_beta   90.82
_cell_angle_gamma   30.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiCr2
_chemical_formula_sum   'Mg1 Ti1 Cr2'
_cell_volume   58.39
_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
  Mg  Mg2  1  0.49  0.0  0.64  1.0
  Ti  Ti3  1  0.19  0.0  0.2  1.0
  Cr  Cr0  1  0.86  0.0  0.12  1.0
  Cr  Cr1  1  0.81  0.0  0.99  1.0

data_MgTiCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.5
_cell_length_b   4.68
_cell_length_c   5.18
_cell_angle_alpha   90.82
_cell_angle_beta   90.0
_cell_angle_gamma   105.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTiCr2
_chemical_formula_sum   'Mg1 Ti1 Cr2'
_cell_volume   58.39
_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
  Mg  Mg0  1  0.0  0.51  0.36  1.0
  Ti  Ti1  1  0.0  0.81  0.8  1.0
  Cr  Cr2  1  0.0  0.14  0.88  1.0
  Cr  Cr3  1  0.0  0.19  0.01  1.0

Mg Ti Cr Cr