data_ZrMn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.16
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   104.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Ga
_chemical_formula_sum   'Zr1 Mn2 Ga1'
_cell_volume   62.08
_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  0.83  0.08  0.56  1.0
  Mn  Mn1  1  0.02  0.08  0.12  1.0
  Mn  Mn2  1  0.15  0.0  0.04  1.0
  Ga  Ga0  1  0.43  0.0  0.93  1.0

data_ZrMn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.16
_cell_length_c   5.27
_cell_angle_alpha   90.0
_cell_angle_beta   104.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMn2Ga
_chemical_formula_sum   'Zr1 Mn2 Ga1'
_cell_volume   62.08
_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  0.83  0.08  0.56  1.0
  Mn  Mn1  1  0.02  0.08  0.12  1.0
  Mn  Mn2  1  0.15  0.0  0.04  1.0
  Ga  Ga3  1  0.43  0.0  0.93  1.0

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