data_YMgZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22
_cell_length_b   7.22
_cell_length_c   7.22
_cell_angle_alpha   152.97
_cell_angle_beta   152.97
_cell_angle_gamma   38.6
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgZr
_chemical_formula_sum   'Y1 Mg1 Zr1'
_cell_volume   77.63
_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
  Y  Y1  1  0.0  0.0  0.15  1.0
  Mg  Mg0  1  0.0  0.0  0.52  1.0
  Zr  Zr2  1  0.0  0.0  0.59  1.0

data_YMgZr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   7.22
_cell_angle_alpha   90.0
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMgZr
_chemical_formula_sum   'Y2 Mg2 Zr2'
_cell_volume   155.26
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Y  Y0  2  0.0  0.0  0.85  1.0
  Mg  Mg1  2  0.0  0.0  0.48  1.0
  Zr  Zr2  2  0.0  0.0  0.41  1.0

Y Mg Zr