data_CaCo2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaCo2As
_chemical_formula_sum   'Ca1 Co2 As1'
_cell_volume   66.22
_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  Ca1  1  0.0  0.0  0.6  1.0
  Co  Co2  1  0.2  0.0  0.2  1.0
  Co  Co3  1  0.0  0.0  0.09  1.0
  As  As0  1  0.2  0.0  0.83  1.0

data_CaCo2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaCo2As
_chemical_formula_sum   'Ca1 Co2 As1'
_cell_volume   66.23
_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
  Ca  Ca0  1  0.0  0.0  0.6  1.0
  Co  Co1  1  0.0  0.0  0.09  1.0
  Co  Co2  1  0.2  0.0  0.2  1.0
  As  As3  1  0.2  0.0  0.83  1.0

Ca Co Co As