data_Y2MnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.5
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnCr
_chemical_formula_sum   'Y2 Mn1 Cr1'
_cell_volume   78.74
_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  0.27  0.75  0.99  1.0
  Y  Y3  1  0.58  0.75  0.73  1.0
  Mn  Mn1  1  0.75  0.0  0.36  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Y2MnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.5
_cell_length_c   6.73
_cell_angle_alpha   90.0
_cell_angle_beta   94.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MnCr
_chemical_formula_sum   'Y2 Mn1 Cr1'
_cell_volume   78.74
_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  0.27  0.75  0.99  1.0
  Y  Y1  1  0.58  0.75  0.73  1.0
  Mn  Mn2  1  0.75  0.0  0.36  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Y Y Mn Cr
Y Y Mn Cr 0 3 o + + 0 1 o o o 0 2 o + + 0 2 - + + 1 3 + + + 1 2 o + o 2 3 o o o 2 3 + o o 2 2 + o o 