data_YMn2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   40.92
_cell_angle_beta   40.92
_cell_angle_gamma   40.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMn2Cu
_chemical_formula_sum   'Y1 Mn2 Cu1'
_cell_volume   66.94
_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  Y3  1  0.0  0.0  0.51  1.0
  Mn  Mn1  1  0.0  0.0  0.23  1.0
  Mn  Mn2  1  0.0  0.0  0.55  1.0
  Cu  Cu0  1  0.0  0.0  0.36  1.0

data_YMn2Cu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.75
_cell_length_b   3.89
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   113.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMn2Cu
_chemical_formula_sum   'Y2 Mn4 Cu2'
_cell_volume   133.88
_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  0.49  1.0
  Mn  Mn1  2  0.0  0.0  0.45  1.0
  Mn  Mn2  2  0.0  0.0  0.77  1.0
  Cu  Cu3  2  0.0  0.0  0.64  1.0

Y Mn Mn Cu
Y Mn Mn Cu 0 2 o o o 1 3 o o o 