data_MnCuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   139.57
_cell_angle_beta   128.79
_cell_angle_gamma   67.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuW2
_chemical_formula_sum   'Mn1 Cu1 W2'
_cell_volume   55.92
_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  Mn1  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.02  1.0
  W  W2  1  0.0  0.09  0.13  1.0
  W  W3  1  0.67  0.0  0.89  1.0

data_MnCuW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.17
_cell_length_c   4.83
_cell_angle_alpha   115.6
_cell_angle_beta   110.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuW2
_chemical_formula_sum   'Mn1 Cu1 W2'
_cell_volume   55.92
_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  0.98  0.98  0.98  1.0
  W  W2  1  0.78  0.11  0.78  1.0
  W  W3  1  0.87  0.95  0.95  1.0

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