data_Cr2GaSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.77
_cell_angle_alpha   142.32
_cell_angle_beta   130.25
_cell_angle_gamma   64.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaSi
_chemical_formula_sum   'Cr2 Ga1 Si1'
_cell_volume   49.95
_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
  Cr  Cr0  1  0.0  0.01  0.99  1.0
  Cr  Cr1  1  0.0  0.0  0.19  1.0
  Ga  Ga2  1  0.0  0.01  0.04  1.0
  Si  Si3  1  0.0  0.0  0.91  1.0

data_Cr2GaSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.01
_cell_length_c   4.77
_cell_angle_alpha   114.87
_cell_angle_beta   108.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2GaSi
_chemical_formula_sum   'Cr2 Ga1 Si1'
_cell_volume   49.95
_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
  Cr  Cr0  1  0.0  0.19  0.19  1.0
  Cr  Cr1  1  0.99  0.98  0.98  1.0
  Ga  Ga2  1  0.99  0.04  0.04  1.0
  Si  Si3  1  0.0  0.91  0.91  1.0

Cr Cr Ga Si
Cr Cr Ga Si 0 2 o o + 0 3 o o o 1 2 o o o 