data_YZrMn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.3
_cell_length_b   8.3
_cell_length_c   8.3
_cell_angle_alpha   22.32
_cell_angle_beta   22.32
_cell_angle_gamma   22.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YZrMn2
_chemical_formula_sum   'Y1 Zr1 Mn2'
_cell_volume   72.31
_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  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.14  1.0
  Mn  Mn0  1  0.0  0.0  0.33  1.0
  Mn  Mn1  1  0.0  0.0  0.94  1.0

data_YZrMn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   3.21
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YZrMn2
_chemical_formula_sum   'Y2 Zr2 Mn4'
_cell_volume   144.61
_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  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.86  1.0
  Mn  Mn2  2  0.0  0.0  0.06  1.0
  Mn  Mn3  2  0.0  0.0  0.67  1.0

Y Zr Mn Mn