data_Ca2CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrCo
_chemical_formula_sum   'Ca2 Cr1 Co1'
_cell_volume   79.59
_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  0.05  0.0  0.39  1.0
  Ca  Ca1  1  0.05  0.0  0.56  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.0  0.0  0.47  1.0

data_Ca2CrCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrCo
_chemical_formula_sum   'Ca2 Cr1 Co1'
_cell_volume   79.59
_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  0.05  0.0  0.39  1.0
  Ca  Ca1  1  0.05  0.0  0.56  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.0  0.47  1.0

Ca Ca Cr Co