data_Mn2Cr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.4
_cell_angle_alpha   139.83
_cell_angle_beta   139.83
_cell_angle_gamma   58.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Cr2W
_chemical_formula_sum   'Mn2 Cr2 W1'
_cell_volume   64.85
_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  0.85  0.36  1.0
  Mn  Mn3  1  0.85  0.0  0.36  1.0
  Cr  Cr0  1  0.0  0.0  0.82  1.0
  Cr  Cr1  1  0.0  0.0  0.62  1.0
  W  W4  1  0.0  0.0  0.0  1.0

data_Mn2Cr2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   5.4
_cell_angle_alpha   90.0
_cell_angle_beta   119.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2Cr2W
_chemical_formula_sum   'Mn4 Cr4 W2'
_cell_volume   129.69
_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
  Mn  Mn0  4  0.43  0.07  0.51  1.0
  Cr  Cr1  2  0.12  0.5  0.62  1.0
  Cr  Cr2  2  0.32  0.5  0.82  1.0
  W  W3  2  0.0  0.0  0.0  1.0

Mn Mn Cr Cr W