data_MgZrFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.16
_cell_angle_alpha   91.5
_cell_angle_beta   91.5
_cell_angle_gamma   94.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrFe2
_chemical_formula_sum   'Mg1 Zr1 Fe2'
_cell_volume   61.75
_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  0.0  0.0  0.0  1.0
  Zr  Zr3  1  1.0  0.0  0.0  1.0
  Fe  Fe0  1  0.44  0.37  0.58  1.0
  Fe  Fe1  1  0.44  0.63  0.58  1.0

data_MgZrFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   94.8
_cell_angle_beta   91.5
_cell_angle_gamma   91.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrFe2
_chemical_formula_sum   'Mg1 Zr1 Fe2'
_cell_volume   61.75
_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  0.0  0.0  1.0
  Zr  Zr1  1  0.0  1.0  0.0  1.0
  Fe  Fe2  1  0.58  0.44  0.37  1.0
  Fe  Fe3  1  0.58  0.44  0.63  1.0
