data_Mn2CrSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrSe
_chemical_formula_sum   'Mn2 Cr1 Se1'
_cell_volume   51.22
_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  0.48  0.0  0.78  1.0
  Mn  Mn2  1  0.48  0.0  0.03  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.9  1.0

data_Mn2CrSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   2.67
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   112.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrSe
_chemical_formula_sum   'Mn2 Cr1 Se1'
_cell_volume   51.22
_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  0.48  0.0  0.03  1.0
  Mn  Mn1  1  0.48  0.0  0.78  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.9  1.0

Mn Mn Cr Se
Mn Mn Cr Se 0 3 o o o 0 3 + o o 0 1 o o + 1 2 o o o 1 2 + o o 1 3 o o - 2 3 o o - 