data_Zr2MnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.36
_cell_length_c   5.36
_cell_angle_alpha   136.8
_cell_angle_beta   136.8
_cell_angle_gamma   62.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnGa
_chemical_formula_sum   'Zr2 Mn1 Ga1'
_cell_volume   71.2
_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  Zr2  1  0.97  0.0  0.29  1.0
  Zr  Zr3  1  0.0  0.0  0.57  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.97  0.29  1.0

data_Zr2MnGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.36
_cell_angle_alpha   111.6
_cell_angle_beta   111.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnGa
_chemical_formula_sum   'Zr2 Mn1 Ga1'
_cell_volume   71.2
_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  0.43  0.0  0.43  1.0
  Zr  Zr1  1  0.71  0.0  0.69  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.69  0.97  0.69  1.0

Zr Zr Mn Ga
Zr Zr Mn Ga 0 3 + - o 0 1 + o o 0 2 + o o 1 3 o - o 2 3 o - o 