data_ZrMnCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnCu2
_chemical_formula_sum   'Zr1 Mn1 Cu2'
_cell_volume   60.32
_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
  Zr  Zr3  1  0.99  0.0  0.79  1.0
  Mn  Mn2  1  0.0  0.0  0.81  1.0
  Cu  Cu0  1  0.0  0.0  0.87  1.0
  Cu  Cu1  1  0.99  0.0  0.39  1.0

data_ZrMnCu2
_symmetry_space_group_name_H-M   Cmm2
_cell_length_a   3.98
_cell_length_b   4.25
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   35
_chemical_formula_structural   ZrMnCu2
_chemical_formula_sum   'Zr2 Mn2 Cu4'
_cell_volume   120.65
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, z'
  7  '-x+1/2, y+1/2, z'
  8  '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
  Zr  Zr0  2  0.0  0.0  0.21  1.0
  Mn  Mn1  2  0.0  0.0  0.19  1.0
  Cu  Cu2  2  0.0  0.0  0.13  1.0
  Cu  Cu3  2  0.0  0.0  0.61  1.0

Zr Mn Cu Cu
Zr Mn Cu Cu 0 1 + o o 0 3 o o o 1 2 o o o 1 3 - o o 3 3 o + o 3 3 + o o 