data_MnCr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47
_cell_length_b   3.99
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr3
_chemical_formula_sum   'Mn1 Cr3'
_cell_volume   45.42
_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  Mn3  1  0.82  0.0  0.31  1.0
  Cr  Cr0  1  0.98  1.0  0.46  1.0
  Cr  Cr1  1  0.66  1.0  0.15  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0

data_MnCr3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.47
_cell_length_b   3.99
_cell_length_c   4.68
_cell_angle_alpha   90.0
_cell_angle_beta   100.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnCr3
_chemical_formula_sum   'Mn1 Cr3'
_cell_volume   45.42
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.82  0.0  0.31  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Cr  Cr2  1  0.66  0.0  0.15  1.0
  Cr  Cr3  1  0.98  0.0  0.46  1.0

Mn Cr Cr Cr