data_Mn2CrAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   137.68
_cell_angle_beta   129.46
_cell_angle_gamma   67.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrAs
_chemical_formula_sum   'Mn2 Cr1 As1'
_cell_volume   49.66
_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  0.66  0.0  0.91  1.0
  Mn  Mn3  1  0.0  0.96  0.9  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.81  1.0

data_Mn2CrAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   3.93
_cell_length_c   4.6
_cell_angle_alpha   115.27
_cell_angle_beta   111.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrAs
_chemical_formula_sum   'Mn2 Cr1 As1'
_cell_volume   49.66
_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  0.91  0.25  1.0
  Mn  Mn1  1  0.04  0.94  0.94  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  As  As3  1  0.0  0.81  0.81  1.0

Mn Mn Cr As