data_MnCr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.59
_cell_length_b   4.11
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2W
_chemical_formula_sum   'Mn1 Cr2 W1'
_cell_volume   50.65
_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
  Cr  Cr0  1  0.01  0.06  0.64  1.0
  Cr  Cr1  1  0.7  0.06  0.12  1.0
  W  W3  1  0.85  0.0  0.38  1.0

data_MnCr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.59
_cell_length_b   4.11
_cell_length_c   4.84
_cell_angle_alpha   90.0
_cell_angle_beta   100.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2W
_chemical_formula_sum   'Mn1 Cr2 W1'
_cell_volume   50.65
_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
  Cr  Cr1  1  0.01  0.06  0.64  1.0
  Cr  Cr2  1  0.7  0.06  0.12  1.0
  W  W3  1  0.85  0.0  0.38  1.0

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