data_YMgCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94
_cell_length_b   5.94
_cell_length_c   5.94
_cell_angle_alpha   149.15
_cell_angle_beta   144.12
_cell_angle_gamma   48.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCr
_chemical_formula_sum   'Y1 Mg1 Cr1'
_cell_volume   62.86
_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  Y2  1  0.0  0.0  0.82  1.0
  Mg  Mg1  1  0.0  0.0  0.93  1.0
  Cr  Cr0  1  0.0  0.0  0.11  1.0

data_YMgCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   3.66
_cell_length_c   5.94
_cell_angle_alpha   107.94
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgCr
_chemical_formula_sum   'Y1 Mg1 Cr1'
_cell_volume   62.86
_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  Y0  1  0.18  0.18  0.18  1.0
  Mg  Mg1  1  0.07  0.07  0.07  1.0
  Cr  Cr2  1  0.89  0.89  0.89  1.0

Y Mg Cr