data_CaMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.04
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2As
_chemical_formula_sum   'Ca1 Mn2 As1'
_cell_volume   78.59
_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  Ca1  1  0.84  0.0  0.05  1.0
  Mn  Mn2  1  0.85  0.02  0.66  1.0
  Mn  Mn3  1  0.58  0.0  0.26  1.0
  As  As0  1  0.55  0.02  0.57  1.0

data_CaMn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.04
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMn2As
_chemical_formula_sum   'Ca1 Mn2 As1'
_cell_volume   78.59
_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  0.84  0.0  0.05  1.0
  Mn  Mn1  1  0.58  0.0  0.26  1.0
  Mn  Mn2  1  0.85  0.02  0.66  1.0
  As  As3  1  0.55  0.02  0.57  1.0

Ca Mn Mn As