data_MnCr2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.69
_cell_length_b   3.97
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2As
_chemical_formula_sum   'Mn1 Cr2 As1'
_cell_volume   48.91
_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  0.67  0.0  0.18  1.0
  Cr  Cr1  1  0.62  0.0  0.01  1.0
  Cr  Cr2  1  0.79  0.99  0.22  1.0
  As  As0  1  0.46  0.99  0.46  1.0

data_MnCr2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   3.97
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   99.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCr2As
_chemical_formula_sum   'Mn1 Cr2 As1'
_cell_volume   48.91
_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  0.67  0.0  0.18  1.0
  Cr  Cr1  1  0.62  0.0  0.01  1.0
  Cr  Cr2  1  0.79  0.99  0.22  1.0
  As  As3  1  0.46  0.99  0.46  1.0

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