data_CaMnCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   5.43
_cell_angle_alpha   104.09
_cell_angle_beta   104.09
_cell_angle_gamma   37.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnCr2
_chemical_formula_sum   'Ca1 Mn1 Cr2'
_cell_volume   67.15
_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
  Ca  Ca0  1  0.23  0.0  0.34  1.0
  Mn  Mn3  1  0.81  0.0  0.28  1.0
  Cr  Cr1  1  0.15  0.0  0.6  1.0
  Cr  Cr2  1  0.13  0.0  0.91  1.0

data_CaMnCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.6
_cell_length_c   5.43
_cell_angle_alpha   104.09
_cell_angle_beta   90.0
_cell_angle_gamma   108.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnCr2
_chemical_formula_sum   'Ca1 Mn1 Cr2'
_cell_volume   67.15
_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
  Ca  Ca0  1  0.0  0.77  0.66  1.0
  Mn  Mn1  1  0.0  0.19  0.72  1.0
  Cr  Cr2  1  0.0  0.85  0.4  1.0
  Cr  Cr3  1  0.0  0.87  0.09  1.0

Ca Mn Cr Cr