data_MnGaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   147.84
_cell_angle_beta   129.97
_cell_angle_gamma   60.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaCl2
_chemical_formula_sum   'Mn1 Ga1 Cl2'
_cell_volume   100.07
_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
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.0  0.0  0.42  1.0
  Cl  Cl0  1  0.0  0.65  0.7  1.0
  Cl  Cl1  1  0.74  0.0  0.72  1.0

data_MnGaCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   5.31
_cell_length_c   6.28
_cell_angle_alpha   115.01
_cell_angle_beta   106.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGaCl2
_chemical_formula_sum   'Mn1 Ga1 Cl2'
_cell_volume   100.07
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.0  0.42  0.42  1.0
  Cl  Cl2  1  0.0  0.72  0.98  1.0
  Cl  Cl3  1  0.35  0.04  0.04  1.0

Mn Ga Cl Cl