data_MnCu2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.57
_cell_length_b   4.04
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2W
_chemical_formula_sum   'Mn1 Cu2 W1'
_cell_volume   51.1
_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
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.28  0.02  0.72  1.0
  Cu  Cu1  1  0.28  0.02  0.2  1.0
  W  W3  1  0.0  0.0  0.46  1.0

data_MnCu2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.04
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2W
_chemical_formula_sum   'Mn1 Cu2 W1'
_cell_volume   51.1
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.28  0.02  0.2  1.0
  Cu  Cu2  1  0.28  0.02  0.72  1.0
  W  W3  1  0.0  0.0  0.46  1.0

Mn Cu Cu W
Mn Cu Cu W 0 2 o o o 0 1 o o - 1 3 o o o 2 3 o o o 